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Table of contents :
Cover
A Half-Century of Physical Asymptotics and Other Diversions
ISBN 9813221194 ISBN 9789813221208 ISBN 9813221208
Preface
Contents
Chapter 01 - Phases
01 - Dislocations in wave trains
02 - Wavefront dislocations in the Aharonov-Bohm effect and its water wave analogue
03 - Much ado about nothing - optical dislocation lines phase singularities, zeros, vortices
04 - Geometry of phase and polarization singularities, illustrated by edge diffraction and the tides
05 - Knotted and linked phase singularities in monochromatic waves
06 - Quantal phase factors accompanying adiabatic changes
07 - Geometric phase memories
08 - Indistinguishability for quantum particles - spin, statistics and the geometric phase
09 - Quantum Indistinguishability - Spin-statistics with out Relativity or Field Theory
Chapter 02 - Caustics and Related Optics
10 - Cusped rainbows and incoherence effects in the rippling-mirror model for particle scattering from surfaces
11 - Waves and Thoms theorem
12 - Slippery as an eel, Review of the Fire within the Eye by David Park
13 - Deconstructing rainbows, Review of the Rainbow Bridge - Rainbows in Art, Myth and Science
14 - Millennium essay - Making waves in physics. Three wave singularities from the miraculous 1830s
15 - Black plastic sandwiches demonstrating biaxial optical anisotropy
16 - Black polarization sandwiches are square roots of zero
17 - Conical diffraction - Hamiltons diabolical point at the heart of crystal optics
18 - Quantum carpets, carpets of light
19 - Reflections on a Christmas-tree bauble
20 - Oriental magic mirrors and the Laplacian image
21 - Natures optics and our understanding of light
22 - Chasing the Silver Dragon
Chapter 03 - Quantum Chaology
23 - Regular and irregular semiclassical wavefunctions
24 - Semiclassical theory of spectral rigidity
25 - Quantum Chaology the Bakerian Lecture
26 - Riemanns zeta function - a model for quantum chaos
27 - Semiclassical formula for the number variance of the Riemann zeros
28 - The Riemann Zeros and Eigenvalue Asymptotics
Chapter 04 - Asymptotics
29 - Uniform asymptotic smoothing of Stokess discontinuities
30 - Emotional asymptotics
31 - Hyperasymptotics for integrals with saddles
32 - Infinity interpreted
33 - Divergent series - taming the tails
34 - The Riemann-Siegel expansion for the zeta function - high orders and remainders
35 - A new asymptotic representation for pzeta12athplusit and quantum spectral determinants
Chapter 05 - Superoscillations
36 - Faster than Fourier
37 - Typical weak and superweak values
38 - Pointer supershifts and superoscillations in weak measurements
Chapter 06 - Philosophy
39 - Asymptotics, singularities and the reduction of theories
40 - Singular Limits
41 - Foreword to Reductionism, Emergence and Levels of Reality - the Importance of Being Borderline
42 - Review of Reexamining the Quantum-Classical Relation - Beyond Reductionism and Pluralism by Alisa Bokulich
Chapter 07 - Tributes
43 - Review of Journey into Light - Life and Science of C. V. Raman by G. Venkataraman
44 - Pancharatnam, virtuoso of the Poincare sphere - an appreciation
45 - Oration for Yakir Aharonov on receiving a Doctor of Science honoris causa
46 - Funeral eulogy for Sir Charles Frank
47 - Paul Dirac - the purest soul in physics
48 - Benefiting from fractals A tribute to Benoit Mandelbrot
49 - Address on John Ziman Memorial Day
50 - Obituary of Robert Balson Dingle
51 - Address at Balazs Gyoerffy memorial event
52 - Contribution to Tribute to Vladimir Arnold
53 - Martin Gutzwiller and his periodic orbits
54 - A tribute to Frank Olver 1924-2013
55 - Remembering Akira Tonomura
56 - Tribute to Richard Gregory
Chapter 08 - Travels
57 - Heisenbergs Sofa
58 - Visiting Nablus
59 - A week in Beirut
60 - Odessa, little and large
Chapter 09 - Miscellaneous
61 - Curl force dynamics - symmetries, chaos and constants of motion
62 - Of flying frogs and levitrons
63 - Review of Understanding the Present - Science and the Soul of Modern Man by Bryan Appleyard
64 - Review of Copenhagen A play by Michael Frayn
65 - Review of the Beginning of Infinity - Explanations that Transform the World by David Deutsch
66 - Editorial - Papers we reject
67 - Impact and influence - valedictory editorial
68 - Getting a knighthood
69 - Wolf Prize acceptance speech
70 - Convocation address Cornell University
71 - Honorary degree acceptance response Weizmann Institute
72 - My nearly half-century in Bristol
73 - Physics for taxi-drivers
74 - Retirement speech
75 - Night thoughts of a theoretical physicist
76 - The arcane in the mundane
Chapter 10 - Awards, Honorary Degrees, etc.
Chapter 11 Publications
Recommend Papers

A Half-century of Physical Asymptotics and Other Diversions: Selected Works by Michael Berry
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A Half-Century of Physical Asymptotics and Other Diversions Selected Works by Michael Berry

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reproduced by permission of Chrystal Cherniwchan

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A Half-Century of Physical Asymptotics and Other Diversions Selected Works by Michael Berry

Michael Berry University of Bristol, UK

1~ World Scientific NEW JERSEY • LOND ON • SIN GAPO RE • BEIJIN G • SHANGHAI • HONG KO NG • TAI PE I • CHE NNAI • TO KYO

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Published by World Scientific Publishing Co. Pte. Ltd. 5 Toh Tuck Link, Singapore 596224 USA office: 27 Warren Street, Suite 401-402, Hackensack, NJ 07601 UK office: 57 Shelton Street, Covent Garden, London WC2H 9HE

Library of Congress Cataloging-in-Publication Data Names: Berry, Michael V., author. Title: A half-century of physical asymptotics and other diversions : selected works by Michael Berry / Michael Berry, Bristol University, UK. Description: Singapore ; Hackensack, NJ : World Scientific, [2017] | Includes bibliographical references. Identifiers: LCCN 2017016848| ISBN 9789813221192 (hardcover ; alk. paper) | ISBN 9813221194 (hardcover ; alk. paper) | ISBN 9789813221208 (pbk. ; alk. paper) | ISBN 9813221208 (pbk. ; alk. paper) Subjects: LCSH: Mathematical physics. | Geometric quantum phases. | Caustics (Optics) | Quantum theory. | Quantum chaos. Classification: LCC QC19.6 .B47 2017 | DDC 530.15/6362--dc23 LC record available at https://lccn.loc.gov/2017016848

British Library Cataloguing-in-Publication Data A catalogue record for this book is available from the British Library.

Copyright © 2018 by World Scientific Publishing Co. Pte. Ltd. All rights reserved. This book, or parts thereof, may not be reproduced in any form or by any means, electronic or mechanical, including photocopying, recording or any information storage and retrieval system now known or to be invented, without written permission from the publisher.

For photocopying of material in this volume, please pay a copying fee through the Copyright Clearance Center, Inc., 222 Rosewood Drive, Danvers, MA 01923, USA. In this case permission to photocopy is not required from the publisher.

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   v

Preface

When Dr K K Phua invited me to publish a collection of my papers, selecting them and ordering them seemed easy. But it wasn’t. Should I choose my favourite papers, or my most-cited papers, or select on some other basis? And the simplest ordering — chronological — would be incoherent, because a lifetime’s work is multiply connected: over a variety of areas of physics, and over time. I recalled the 1976 retirement speech of my late colleague Sir Charles Frank: “Physics is not just Concerning the Nature of Things, but Concerning the Interconnectedness of all the Natures of Things”. Here, ‘things’ applies not only to objects, but also to the conceptual structures that have concerned me as a theorist. In the end, I compromised. The book is organised around research themes — areas where I have made significant contributions. Each theme is the subject of a chapter, comprising a number of my works and a descriptive introduction emphasising connections between the themes. A life in science consists of more than published research papers, and so, to give a more nuanced picture, I also included some tributes to other scientists, a selection of book reviews, travel reports, unpublished speeches and other musings. Many of my papers — more than is customary nowadays — are single-author, and the introductions to the chapters mention few people — essentially, only those I have collaborated with. But I am not under the illusion that mathematical science is a solitary activity. Quite the contrary, I have been inspired and influenced by the discoveries and scientific styles of a number of physicists and mathematicians. Tributes to some of them constitute Chapter 7. I have enjoyed collaborations with my graduate students and other scientists; their contributions have been indispensable at all levels from conceptual to technical. Chance conversations have led to a number of ‘claritons’ (the elementary particles of sudden understanding); these are indicated by acknowledgements in the resulting published papers. And of course, the lists of references in all my papers implicitly recognise the work of many others.

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vi   A Half-Century of Physical Asymptotics and other Diversions

Since my undergraduate studies at Exeter (1959–1962) and my Ph.D at St Andrews (1962–1965), my whole career has been at Bristol. For more than 50 years, I have benefited enormously from the friendly and intellectually supportive atmosphere of the Bristol physics department, from successive Bristol University administrations — largely hands-off but helpful when needed — and from the Royal Society, which supported me as a research professor for several decades. I have been offered positions at other prestigious universities in the UK and elsewhere. But after serious consideration, I always decided to remain in Bristol (to the disappointment of my late mother, even when I told her that the prestige comes from being invited — you don’t get more if you actually go). I thank my children for surviving a father who was often travelling, and lost in abstraction even when physically present. Above all, I thank my wives Eve, Lesley and (for the longest time) Monica, for their tolerance and their loving support during all these years of my obsession with physics. Bristol 2017

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   vii

Contents Preface

v

Chapter 1. Phases

1

1.1

6

1.2

1.3 1.4

1.5 1.6 1.7 1.8

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Nye, J. F., & Berry, M. V., 1974 ‘Dislocations in wave trains’ , Proc. R. Soc. A 336, 165–190 (B34) Berry, M. V., Chambers, R. G., Large, M. D., Upstill, C., & Walmsley, J. C., 1980 ‘Wavefront dislocations in the Aharonov-Bohm effect and its water wave analogue’ , Eur. J. Phys. 1, 154–162 (B96) Berry, M. V., 1998 ‘Much ado about nothing: optical dislocation lines (phase singularities, zeros, vortices…)’ , in Singular optics (ed: Soskin, M. S.) Frunzenskoe: Crimea, SPIE 3487, 1–5 (B296) Berry, M. V., 2001 ‘Geometry of phase and polarization singularities, illustrated by edge diffraction and the tides’ , in Second International Conference on Singular Optics (Optical Vortices): Fundamentals and Applications, Bellingham: Washington, SPIE 4403, 1–12 (B330) Berry, M. V., & Dennis, M. R., 2001 ‘Knotted and linked phase singularities in monochromatic waves’ , Proc. R. Soc. A 457, 2251–2263 (B332) Berry, M. V., 1984 ‘Quantal phase factors accompanying adiabatic changes’ , Proc. R. Soc. A 392, 45–57 (B120) Berry, M. V., 2010 ‘Geometric phase memories’ , Nature Physics 6, 148–150 (B420) Berry, M. V., & Robbins, J. M., 1997 ‘Indistinguishability for quantum particles: spin, statistics and the geometric phase’ , Proc. R. Soc. A 453, 1771–1790 (B286)

32

42 47

59 72 85 88

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viii   A Half-Century of Physical Asymptotics and other Diversions

1.9

Berry, M. V., & Robbins, J. M., 2000 ‘Quantum Indistinguishability: Spin-statistics without Relativity or Field Theory?’ , in Spin-Statistics Connection and Commutation Relations, (eds: R. C. Hilborn & G. M. Tino), American Institute of Physics CP545, 3–15 (B322)

108

Chapter 2. Caustics and related Optics

121

2.1

126

Berry, M. V., 1975 ‘Cusped rainbows and incoherence effects in the rippling-mirror model for particle scattering from surfaces’ , J. Phys. A 8, 566–584 (B41) 2.2 Berry, M. V., 1976 ‘Waves and Thom’s theorem’ , Advances in Physics 25, 1–26 (B49) 2.3 Berry, M. V., 1997 ‘Slippery as an eel’ , Review of ‘The Fire Within the Eye’ by David Park, Physics World 10 (December), 41–42 (B289) 2.4 Berry, M. V., 2002 ‘Deconstructing rainbows’ , Review of ‘The Rainbow Bridge: Rainbows in Art, Myth and Science’ by Raymond L. Lee and Alastair B. Fraser, Physics World 15 (No. 11), 49 (B349) 2.5 Berry, M. V., 2000 ‘Millennium essay: Making waves in physics. Three wave singularities from the miraculous 1830s’ , Nature 403 (6 January), 21 (B314) 2.6 Berry, M. V., Bhandari, R., & Klein, S., 1999 ‘Black plastic sandwiches demonstrating biaxial optical anisotropy’ , Eur. J. Phys. 20, 1–14 (B303) 2.7 Berry, M. V., & Dennis, M. R., 2004 ‘Black polarization sandwiches are square roots of zero’ , J. Optics. A 6, S24–S25 (B361) 2.8 Berry, M. V., & Jeffrey, M. R., 2007 ‘Conical diffraction: Hamilton ’s diabolical point at the heart of crystal optics’ , Progress in Optics 50, 13–50. (B400) 2.9 Berry, M. V., Marzoli, I., & Schleich, W., 2001 ‘Quantum carpets, carpets of light’ , Physics World (June), 39–44. (B329) 2.10 Berry, M. V., 1972 ‘Reflections on a Christmas-tree bauble’ , Physics Education 7, 1–6 (B22) 2.11 Berry, M. V., 2006 ‘Oriental magic mirrors and the Laplacian image’ , Eur. J. Phys. 27, 109–118 (B383) 2.12 Berry, M. V., 2015 ‘Nature’ s optics and our understanding of light’ , Contemporary Physics (celebrating the International Year of Light) 56, 2–16 (B476)

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147 173 175

176 177 191 193 231 237 243 253

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Contents  ix

2.13 Berry, Michael, 2015 ‘Chasing the Silver Dragon’ , Physics World (July), 45–47 (B478)

268

Chapter 3. Quantum Chaology

271

3.1

275

3.2 3.3 3.4

3.5 3.6

Berry, M. V., 1977 ‘Regular and irregular semiclassical wavefunctions’ , J. Phys. A 10, 2083–2091 (B64) Berry, M. V., 1985 ‘Semiclassical theory of spectral rigidity’ , Proc. R. Soc. A 400, 229–251 (B140) Berry, M. V., 1987 ‘Quantum Chaology’ (The Bakerian Lecture), Proc. R. Soc. A 413, 183–198 (B163) Berry, M. V., 1986 ‘Riemann’s zeta function: a model for quantum chaos?’ in Quantum chaos and statistical nuclear physics (eds: T. H. Seligman and H. Nishioka), Springer Lecture Notes in Physics No. 263, 1–17 (B154) Berry, M. V., 1988 ‘Semiclassical formula for the number variance of the Riemann zeros’ , Nonlinearity 1, 399–407 (B175) Berry, M. V., & Keating, J. P., 1999 ‘The Riemann Zeros and Eigenvalue Asymptotics’ , SIAM Review 41, 236–266 (B307)

284 307 323

340 349

Chapter 4. Asymptotics

381

4.1

Berry, M. V., 1989 ‘Uniform asymptotic smoothing of Stokes’s discontinuities’ , Proc. R. Soc. A 422, 7–21 (B181) Berry, M. V., ‘Emotional asymptotics’ (poem) 2000 (U9)

385

Berry, M. V., & Howls, C. J., 1991 ‘Hyperasymptotics for integrals with saddles’ , Proc. R. Soc. A 434, 657–675 (B223) Berry, M. V., & Howls, C. J., 1993 ‘Infinity interpreted’ , Physics World (June), 35–39 (B241) Berry, M. V., & Howls, C. J., 2015 ‘Divergent series: taming the tails’ , in The Princeton Companion to Applied Mathematics, (ed: N. J. Higham) Princeton, NJ: Princeton University Press, 634–640 (B482) Berry, M. V., 1995 ‘The Riemann-Siegel expansion for the zeta function: high orders and remainders’ , Proc. R. Soc. A 450, 439–462 (B265) Berry, M. V., & Keating, J. P., 1992 ‘A new asymptotic representation for ζ(½ +it) and quantum spectral determinants’ , Proc. R. Soc. A 437, 151–173 (B233)

401

4.2 4.3 4.4 4.5

4.6 4.7

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400

420 425

432 456

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x   A Half-Century of Physical Asymptotics and other Diversions

Chapter 5. Superoscillations 5.1

5.2 5.3

Berry, M. V., 1994 ‘Faster than Fourier’ , in Quantum Coherence and Reality; in celebration of the 60th Birthday of Yakir Aharonov (eds: J. S. Anandan and J. L. Safko) World Scientific: Singapore, 55–65 (B262) Berry, M. V., & Shukla, P., 2010 ‘Typical weak and superweak values’ , J. Phys. A 43, 354024 (B429) Berry, M. V., & Shukla, Pragya, 2012 ‘Pointer supershifts and superoscillations in weak measurements’ , J. Phys. A 45, 015301 (B445)

479 483

494 503

Chapter 6. Philosophy

517

6.1

520

6.2 6.3

6.4

Berry, M. V., 1994 ‘Asymptotics, singularities and the reduction of theories’ , Proc. 9th Int. Cong. Logic, Method., and Phil. of Sci. IX (eds: D. Prawitz, B. Skyrms and D. Westerståhl), 597–607 (B260) Berry, M. V., 2002 ‘Singular Limits’ , Physics Today (May), 10–11 (B341) Berry, M. V., 2014 Foreword to Reductionism, Emergence and Levels of Reality: The Importance of Being Borderline by Sergio Chibbaro, Lamberto Rondoni & Angelo Vulpiani, Springer: Heidelberg, New York, Dordrecht & London, vii–viii (B474) Berry, M. V., 2010 Review of ‘Reexamining the Quantum-Classical Relation: Beyond Reductionism and Pluralism’ by Alisa Bokulich, Brit. J. Phil. Sci. 61, 889–895 (B433)

Chapter 7. Tributes 7.1 7.2 7.3 7.4 7.5 7.6 7.7

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Berry, M. V., 1989 Review of Journey into Light: Life and Science of C. V. Raman by G. Venkataraman, Nature 338, 685–686 (B183) Berry, M. V., 1994 ‘Pancharatnam, virtuoso of the Poincaré sphere: an appreciation’ , Current Science 67, 220–223 (B257) Oration for Yakir Aharonov on receiving a Doctor of Science honoris causa, 1997 (U1) Funeral eulogy for Sir Charles Frank, 1998 (U2) Berry, M. V., 1998 ‘Paul Dirac: The purest soul in physics’ , Physics World 11 (February), 36–40 (B291) Berry, M. V., 2004 ‘Benefiting from fractals’ (A tribute to Benoit Mandelbrot), Proc. Symp. Pure Mathematics 72.1, 31–33 (B375) Address on John Ziman Memorial Day, 2005 (U11)

531 533

535

543 546 548 552 554 556 561 564

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Contents  xi

7.8

7.9

Berry, M. V., & Cornwell, J., 2011 Obituary of Robert Balson Dingle, published online by the Royal Society of Edinburgh: http://www.royalsoced.org.uk/cms/files/fellows/obits_alpha/ dingle_robert.pdf (B439) Address at Balazs Györffy memorial event, 2012 (U3)

567

569

7.10 Berry, M. V., 2012 Contribution to ‘Tribute to Vladimir Arnold’ (eds: B. Khesin and S. Tabachnikov), Not. AMS. 59, 396–398 (B452) 7.11 Berry, M. V., 2012 ‘Martin Gutzwiller and his periodic orbits’ , in The legacy of Martin Gutzwiller, Communs. Swiss Phys. Soc. 37, 27–30 (B447) 7.12 Berry, M. V., 2014 ‘A tribute to Frank Olver (1924–2013)’ , in Analysis and Applications 12 No. 4, ix–x (B472) 7.13 Berry, M. V., 2014 ‘Remembering Akira Tonomura’ , in In Memory of Akira Tonomura: Physicist and Electron Microscopist, (eds: K. Fujikawa and Y. A. Ono), World Scientific: Singapore, 30–32 (B470) 7.14 Tribute to Richard Gregory (U12)

580

Chapter 8. Travels

587

8.1 8.2 8.3 8.4

Berry, M. V., 1991 ‘Heisenberg’s Sofa’ , Bristol University Newsletter (21 March), 8 (B216) Berry, M. V., 1993 ‘Visiting Nablus’ , Bristol University Physics Department occasional newsletter (B248a) Berry, M. V., 1999 ‘A week in Beirut’ , Bristol University Newsletter, Vol. 29 No. 8 (28 January) (B303a) Berry, M. V., 2000 ‘Odessa, little and large’ , Bristol University Newsletter (6 December), 8 (B323)

572 576

582

585

590 591 594 597

Chapter 9. Miscellaneous

601

9.1

604

9.2 9.3

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Berry, M. V., & Shukla, Pragya, 2016 ‘Curl force dynamics: symmetries, chaos and constants of motion’ , New J. Phys. 18, 063018 (B486) Berry, M. V., & Geim, A. K., 1997 ‘Of flying frogs and levitrons’ , Eur. J. Phys. 18, 307–313 (B285) Berry, M. V., 1992 Review of ‘Understanding the Present: Science and the Soul of Modern Man’ by Bryan Appleyard, Physics World (June), 62–63 (B235)

615 622

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xii   A Half-Century of Physical Asymptotics and other Diversions

9.4

624

9.8

Berry, M. V., 1998 Review of ‘Copenhagen’ (A play by Michael Frayn), Nature 394, (20 August) 735 (B298) Berry, M. V., 2011 Review of ‘The Beginning of Infinity: Explanations that Transform the World’ by David Deutsch, Times Higher Education (31 March), 50–51(B436) Berry, M. V., 2012 ‘Editorial: Papers we reject’ , Proc. R. Soc. A 468, 1 (doi:10.1098/rspa.2011.0564) (B444) Berry, M. V., 2013 ‘Impact and influence: valedictory editorial’ , Proc. R. Soc. A 469, 20120698 (B455) Getting a knighthood, 1996 (U4)

9.9

Wolf Prize acceptance speech, 1998 (U5)

631

9.5 9.6 9.7

625 627 628 629

9.10 Convocation address (Cornell University), 2000 (U7)

633

9.11 Honorary degree acceptance response (Weizmann Institute), 2003 (U6) 9.12 Berry, M. V., 2008 ‘My (nearly) half-century in Bristol’ , in 100. A collection of words and images to mark the Centenary of the University of Bristol (ed: Barry Taylor, University of Bristol). (B411) 9.13 Berry, M. V., 2004 ‘Physics for taxi-drivers’ , Physics World (December), 15 (B374) 9.14 Retirement speech, 2008 (U8)

639

9.15 ‘Night thoughts of a theoretical physicist’ , 1999 (U10)

648

9.16 Berry, M. V., 2008 ‘The arcane in the mundane’ , in Les Déchiffreurs: Voyage en mathématiques (eds: Jean-François Dars, Annick Lesne & Anne Papillault), Éditions Belin: France, 134–135 (B405)

655

Chapter 10. Awards, honorary degrees, etc.

657

Chapter 11. Publications

661

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641

644 645

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   xiii

Note on citations In the introductions to the chapters, papers reprinted in this book are referred to by chapter and section numbers (e.g. [1.1]). Papers that are not reprinted here are referred to by their number in my full publications list (e.g. [B34]) in Chapter 11. Unpublished works are labelled U (e.g. [U1]).

Acknowledgements I thank my co-authors, and the publishers listed below, for graciously giving permission to reproduce the indicated items. When citing these papers, please give the full original publication details, in addition to references to this book. American Institute of Physics: [1.9], [6.2] American Mathematical Society: [7.6], [7.10] Current Science: [7.2] Editions Belin: [9.16] Elsevier: [2.8], [6.1] Nature: [1.7], [2.5], [7.1], [9.4] Oxford University Press: [6.4] Princeton University Press: [4.5] Royal Society of Edinburgh: [7.8] Royal Society of London: [1.1], [1.5], [1.6], [1.8], [3.2], [3.3], [4.1], [4.3], [4.6], [4.7], [9.6], [9.7] SIAM Review: [3.6] SPIE: [1.3], [1.4] Springer: [3.4], [6.3] Swiss Physical Society: [7.11] Taylor and Francis: [2.2], [2.12] Times Higher Education: [9.5] UK Institute of Physics: [1.2], [2.1], [2.3], [2.4], [2.6], [2.7], [2.9], [2.10], [2.11], [2.13], [3.1], [3.5], [4.4], [5.2], [5.3], [7.5], [9.1], [9.2], [9.3], [9.13] Full acknowledgement of each item reproduced is printed on the first page of that item.

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Chapter 1

Phases

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Chapter 1: Phases   3

From the beginning, I was fascinated by waves, especially their characteristic property, namely phase. My first paper [B1], published in 1965, when I was still a graduate student in St Andrews, concerned the phase difference between two waves. It had been claimed that this was different for moving observers. We showed that this is wrong: the phase difference is invariant under Lorentz (also Galilean) transformations. That was essentially a pedagogical exercise concerning phase. My first original contribution in this area, with John Nye [1.1], reported the discovery of the singularities of phase as ubiquitous features of all kinds of waves, e.g. light and sound, as well as the more exotic waves in superfluids and superconductors. Around such a singularity, the phase changes by a multiple of 2π. The waves swirl around the singularities, and the phase gradient is an irrotational field, so phase singularities are wave vortices. They are places of zero intensity, so they are also nodes. Geometrically, these nodal sets are points in the plane, and lines in space; they are stable under perturbation, generalising the dark fringes of classical interferometry, which are surfaces in space, and not stable. We originally used the term ‘wavefront dislocations’, because phase singularities are analogous to defects in crystals. Close to a singularity, the phase varies on scales smaller than the wavelength, so phase singularities exemplify superoscillations (Chapter 5) — though it was several decades before I recognised the connection. The collaboration arose from Nye’s research in glaciology. We had been discussing the application of radio waves to explore the Antarctic ice sheet and the underlying terrain. Nye devised a student laboratory project, in which ultrasound replaced radio waves and crinkly kitchen foil replaced Antarctica’s bottom. He noticed that, as the transmitter/receiver was moved, the number of wave crests in the echo changed; we eventually realised that this indicated that the reflected wave contains phase singularities, the general theory of which we developed. The 1974 research with John Nye is my only significant work with a senior colleague. Nye was and is a master of clear thinking and clear writing as well as an exemplar of decent scientific behaviour. An early application revealed phase singularities in the eponymous AharonovBohm (AB) quantum effect, discovered in Bristol in 1959 and confirmed experimentally by our late Bristol colleague Robert Chambers (at that time, I was a schoolboy applying to universities, and Bristol rejected me). In 1980, in an undergraduate project, we found theoretically, and explored experimentally [1.2], a classical analogue of the AB wavefunction, with ripples on the surface of water (instead of electron waves) encountering a bathub vortex (instead of a magnetic flux line). We included Chambers as an author of the paper after he showed us his unpublished sketches from 1960, showing wavefronts emerging from the phase singularity at the magnetic flux line.

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4   A Half-Century of Physical Asymptotics and other Diversions

The AB arrangement can be regarded as a kind of interferometer, in which a shift of fringes measures the phase change generated by magnetic flux. Much later [B397], this led to the understanding that every interferometer is threaded by lines of phase singularity, whose number is an integer approximation to the (usually non-integer) phase being measured. I have explored many physical and mathematical aspects of the AB wavefunction [B97, B157, B309, B310, B487], and remain fascinated by it. The initial response to the paper with Nye was muted, but following optical experiments in the Ukraine in the early 1990s and connections with the orbital angular momentum of light, the subject of optical vortices has exploded into a substantial area of research worldwide. Here, I include two conference reviews, [1.3] and [1.4], with the latter including polarization singularities (discovered by Nye and Hajnal in the 1980s) and also the original phase singularity, discovered by William Whewell in the 1830s in the wave patterns of the tides (more history is in [B105] and [B342]). In three dimensions, optical vortices are lines which can have non-trivial topology: they can be linked and knotted. This was first shown in a collaboration ([1.5] and [B333], see also [B328]) with Mark Dennis, who has greatly extended and deepened this area of wave topology and knot theory generally. (For knotted LEGO, see the end picture and [B280].) Also with Dennis came the germination ([B364], see also [B404]) of an idea I had seeded several decades before, that optical vortices possess quantum cores: the dark light of a phase singularity can be regarded as a window, opening to our view the faint glimmering of the quantum vacuum (see also Chapter 6). The analogous acoustic vortices — threads of silence — also possess cores, disturbed by the whispering of Brownian motion. In white light, interference produces characteristic colour patterns associated with phase singularities ([B346], [B347]). This inspired Edward Cowie to compose ‘Colours of dark light’ for string quartet and oboe. Rather different was my 1984 paper [1.6] describing the geometric phase accumulated by the quantum states of systems that are slowly cycled. This has turned out to a clarifying and unifying concept that has influenced many areas of physics; it has been reviewed many times, including by me in [B187] and [B198]. I include here an account [1.7] of how I found the phase, and anticipations of aspects of it by other people (see also [B212]). The counterpart for non-chaotic systems in classical mechanics, namely John Hannay’s ‘geometric angle’ (see [B132]) has turned out to be influential in several areas of dynamics. The application of geometric phase ideas that pleased me most, but alas, has not enjoyed the wider appreciation we hoped for, was to illuminate the spinstatistics connection (SS) that is fundamental in quantum physics. SS relates the phase (zero or π) associated with the exchange or permutation of identical

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Chapter 1: Phases   5

quantum particles to their spin (integer or half-integer). In papers [1.8] and [1.9], resulting from a collaboration with Jonathan Robbins, SS is associated with the topology of a Hilbert space incorporating identicalness.

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6   A Half-Century of Physical Asymptotics and other Diversions Proc. R. Soc. Lond. A. 336, 165-190 (1974) Printed in Great Britain

Dislocations in wave trains J. F. NYE AND M. v. BERRY H. H. Wills Physics Laboratory, University of Bristol BY

(Communicated by F. 0. Frank, F.R.S. -Received 17 January 1973) When an ultrasonic pulse, containing, say, ten quasi-sinusoidal oscillations, is reflected in air from a rough smface, it is observed experimentally that the scattered wave train contains dislocations, which are closely analogous to those found in imperfect crystals. We show theoretically that such dislocations are to be expected whenever limited trains of waves, ultimately derived from the same oscillator, travel in different directions and interfere- for example in a scattering problem. Dispersion is not involved. Equations are given showing the detailed structure of edge, screw and mixed edge-screw dislocations, and also of parallel sets of such dislocations. Edge dislocations can glide relative to the wave train at any velocity; they can also climb, and screw dislocations can glide. Wavefront dislocations may be curved, and they may intersect; they may collide and rebound; they may annihilate each other or be created as loops or pairs. With dislocations in wave trains, unlike crystal dislocations, there is no breakdown of linearity near the centre. Mathematically they are lines along which the phase is indeterminate; this implies that the wave amplitude is zero.

1. OBSERVATION OF DISLOCATIONS

In this paper we introduce a new concept into wave theory: using elementary arguments, we show that wavefronts-that is, surfaces of constant phase-can contain dislocation lines, closely analogous to those found in crystals. The work originated in attempts to understand radio echoes from the bottom of the Antarctic ice sheet; the spatial fine structure, or 'fading pattern', of the echo may be used for precise determination of position (Nye, Kyte & Threlfall 1972; Walford 1972; Nye, Berry & Walford 1972). A laboratory analogue experiment was carried out, using ultrasound instead of radio waves. The relatively low frequency of ultrasound enabled the detailed phase structure of the echo to be studied, and wavefront dislocations were observed. We suspect that dislocations may often have been observed in phase sensitive experiments without their significance being appreciated (see, for example, figure 5 of a paper by Findlay (1951) showing dislocations in a radio wave field reflected from the ionosphere, and the remarks in §8 of the present paper about amphidromic points). It is possible that dislocations may find application in remote sensing as 'markers' in a wave field, because they are definite features recognizable even in the presence of noise. In this paper, however, our purpose is simply to demonstrate that wavefront dislocations exist, to deduce their detailed structure and to examine some of their properties. We begin by describing the original observation. Ultrasonic pulses from a small source were incident, in air, on a rough surface, and the scattered pulses were received by a small moveable microphone and displayed on an oscilloscope. Each pulse from the source consisted of about 10 sinusoidal waves (frequency 100kHz) ( 165 ]

II-2

Reprinted from Proceedings of the Royal Society A, Volume 336, (1974).

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[1.1]  7

J. F. Nye and M. V. Berry

166

within a smoothly varying (approximately Gn,ussian) envelope (figure 1a). The echo from the rough surface was oflonger duration (figure 1b), consisting of 50 or more approximately sinusoidal waves of fluctuating amplitude. By moving the microphone along a line it was possible to find points in space where the envelope of the echo had zero strength for some particular time delay. Figure 2c shows a /

/

'

·(a)

'\

'

/

--

(b)

time

FIGURE

time

1. (a) Quasi-monochromatic pulse from a source. (b) The echo from a rough surface.

,

' ',,A

/

/

c,/

'

c/ /

/

T t / /

/ /

/

/ / /

/

/

(a)

/

(b)

/

/ /

''

',

',

''

''

''

' ',,

'

/

/

c/

' ',A

Q/

'

/

/

/

t /

/

/

/

(c) ,/ /

/

/

/

/

/

/

' ',,

'' '

,

'

\

/

'\

/

\

'\

/

/

/

(d) / /

2. An edge dislocation - symmetrical case. Signal versus time t for four different positions of a receiver: (a) x:::::: -2fl:fk, (b) x:::: -fl:Jk, (c) x = 0, (d) x = 2fl:Jk. T = 2rrfw = period.

FIGURE

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8   A Half-Century of Physical Asymptotics and other Diversions

Dislocations in wave trains

167

symmetrical example of the time variation of the signal at such a point; the broken line is the envelope. By moving the microphone first to one side (figures 2a, b) and then the other (figure 2d) one coUld follow the crests A and 0 continuously through the transition and see that a new crest B was created between them. Figures 3 a, b, c, d show an antisymmetrical example of the same thing; again a new crest B appears between crests A and C. In general, the phase of the carrier wave relative to the envelope is such that one observes an unsymmetrical curve which is a linear combination of the symmetrical and antisymmetrical cases.

A

'

(c)

''

' ''

''

''

''

''

I -

(d) I /

I

I

I

FIGURE 3. As figure 2 - antisymmetrioal case. Figures 2 and 3 are oaloulated by taking the real and imaginary parts respectively of equation (13).

A possible spatial variation at a given time of the echo corresponding to figures 2 a to dis shown in figure 4. As later examples will show, the wavefront dislocation may move backwards, forwards or sideways independently of the motion of the wavefronts; but for simplicity in this introductory section we consider the case in which the dislocation travels with the wavefronts, in a direction normal to their mean

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[1.1]  9

J. F. Nye and M. V. Berry

168

plane. As the pattern of crests sweeps upwards a receiver at P notes the passage of crests A and C, and as the receiver is moved continuously to R a new crest B is found to appear as the receiver passes point Q. The spatial pattern has a crest wavefront that ends at N. (The precise location ofN depends on what one defines as a crest; we

PI

Ql



!

I

I J I

I

f Kl

FIGURE 4.

I

AI

I

cl I

I

---r-

---;=

----+--._

-L. I

I

AI I

Bl

cl I I I

M I

I

~

tI

iL

Spatial pattern of wave-crests at a fixed time. There is an edge dislocation at N.

shall deal with this presently.) In three dimensions the wavefront ends in a line. We shall call this linear structure an edge dislocation by analogy with the edge dislocations found in crystals (Read 1953; Nabarro 1967). In practice, since the amplitude falls to zero at N, the details of the transition may be submerged in the noise, but, by following a 'Burgers circuit' such as JKLM which is everywhere in places of strong signal and counting the number ofwavefronts crossed, one can be quite sure that a dislocation has been enclosed. The analogy with crystal dislocations goes further: we shall see that it is possible to have both screw and mixed edge-screw dislocations, that wavefront dislocations are capable of movement by glide and climb, that they can intersect, that they can collide and rebound, or annihilate each other or be created as loops or pairs. In general, pulses rather than monochromatic waves are essential for dislocations. In a monochromatic wave the time variation at a point must be strictly sinusoidal. This is clearly impossible at Q in figure 4, for the passage of N past Q is a unique event. At the same time there must be some periodicity if we are to identify a dislocation. Thus the dislocations are structures that disappear at both the monochromatic and the white noise limit; they need both the localization property of a pulse and the oscillation property of a continuous wave. Dispersion is not involved. However, in certain degenerate cases dislocations can be produced by continuous waves. One is the non-localized interference fringe FF shown in figure 5, as produced, for example, by a Young's two-slit experiment. Monochromatic waves are moving upwards and their amplitude is zero on FF; there is a phase change of rr across FF. This could be described as a row of edge dislocations of alternating sign or as a single

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Dislocations in wave trains

169

infinitely extended dislocation. Because all the crests behave identically the time variation at any point is still strictly sinusoidal. Other degenerate cases are the stationary pure screw dislocations and the localized interference fringe which we shall describe later. F

I F FIGURE 5. A non-localized interference fringe FF. The waves travel upwards.

We have introduced wavefront dislocations as structures observed when a pulse is diffracted from a rough surface and we shall deal more fully with this method of producing them in a separate paper. Here we show that they are a general feature to be expected whenever there is interference between pulses derived from a common oscillator; diffraction by a rough surface is but one way of making them.

2.

THE FUNDAMENTAL MATHEMATICAL PROPERTY OF A DISLOCATION

What distinguishes a dislocation from other features of a wave field? To answer this, we must first define precisely the amplitude and phase of a wave. Let there be an oscillator with fixed angular frequency w. After an arbitrary phase change the signal from it is amplitude-modulated and made to drive a source of scalar waves, the wave amplitude being proportional to the driving signal. We call such a source quasi-monochromatic. At the same time the original signal from the oscillator is changed in phase and amplitude-modulated in other fixed ways and made to drive other sources in a similar fashion. All the wave trains so produced travel together in an undispersive medium and their combined effect is observed at a certain point P. If the original oscillation is proportional to cos (- wt) we denote the resulting signal at P by '!frc(t). The phase of the original carrier wave is now changed by !7t, while everything else is kept fixed. Thus, let the original oscillation now be proportional to sin (- wt), while the envelopes representing the various amplitude modulations and all the phase changes are held fixed, and denote the resulting signal at P by '!frs(t). We can say that, if the original oscillation were proportional to e-irut, the signal at P would be the complex wave function 'ljf(t)

10480-01-01.indd 10

= '!frc(t) +i'!fr8 (t) = p(t)e1x kR, and its behaviour as r ~ oo can be found using standard asymptotic forms for H(/~., 1 (kr), giving

The second term of equation (14) describes a purely outgoing wave. Therefore the solution (10) does indeed satisfy all the conditions (i)-(iv). It appears from equation (14) that the incident and scattered waves are multivalued functions of 8, but this is not the case because a narrow sector near the forward direction 181 = 1T is excluded. We show in the Appendix that within this sector if!AB cannot be separated into incident and scattered parts, and that in the forward direction itself if!Aa(r, ±1r) ~ exp{i(kr + [a]1r)} cos{1r(a- [a])}.

(18) Thus when a= N + t where N is an integer, if!As vanishes at IBI = 1T. This is actually a general result, valid for all r and for both if!AB and ifJR, i.e. lf!(r, ±1r) = 0

112

ifiR(r)~ (~) exp(ikr) 7Tlkr

1

~

.

]11-al(kR)

1

X ~~exp{l(I8-'7TI1-al)} H(/~., (kR).

(13)

This represents a purely outgoing wave, consistent with condition (iv). The asymptotics of if!As are more subtle. In view of the absence of 'outgoing' Bessel functions H 11 l from equation (11), it is far from obvious that if!As can represent just the wave scattered by the flux line in addition to the incident wave. That this is indeed the case is shown in the Appendix using arguments simpler than those in the original AB paper. The result is ,/,

'f'AB

(

r

) 16/jli,

(35)

which shows that the phase factor is independent of n, and also of C if this winds once round the flux line. The phase factor could be observed by interference between the particles in the transported box and those in a box which was not transported round the circuit. In elementary presentations of the Aharonov-Bohm effect (including its anticipation by Ehrenburg & Siday 1949), the Dirac phase factor is often invoked in comparing systems passing opposite sides of a flux line. Such invocations are subject to the objection that the wavefunction thus obtained is not single-valued. One way to avoid this objection is by summation over all contributions (whirling waves) representing different windings round the flux line (Schulman 1981; Berry 198o; Morandi & Menossi 1984). Another way, adopted in the original paper by Aharonov & Bohm, is to solve Schrodinger's equation exactly for scattering in the flux line's vector potential. The argument of the preceding paragraphs, which employs the geometrical phase factor, is a third way of obtaining the Aharonov-Bohm effect by using only single-valued wavefunctions. Mead (198oa,b), employs the term 'molecular Aharonov-Bohm effect' in a different context, to describe how degeneracies in electron energy levels affect the spectrum of nuclear vibrations. He explains two options, both leading to the same vibration spectrum. The first option is to continue the electronic states round degeneracies (in the space of nuclear coordinates) in the manner described in this paper, thus causing the electronic wavefunctions to be multi-valued, with a compensating multi-valuedness in the nuclear states, which must be incorporated into their boundary conditions. The alternative is to enforce single-valuedness on the electronic (and hence also the nuclear) states, and this introduces a vector potential into the Schrodinger equation for nuclear motion. In general one may expect such effects whenever an isolated system is considered as being divided into two interacting parts, each slaved to a different aspect of the other (in the molecular case, electron states are slaved to nuclear coordinates, and nuclear states are slaved to the electronic states and wavefunctions). The systems considered in this paper might be regarded as a special case, in which the coupling is with 'the rest of the Universe' (including us as observers). The only role of the rest of the Universe is to provide a Hamiltonian with slowly-varying parameters, thus forcing the system to evolve adiabatically with phase continuation governed by the time-dependent Schrodinger equation.

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Phase factors accompanying adiabatic changes

55

6. DISCUSSION

A system slowly transported round a circuit will return in its original state; this is the content of the adiabatic theorem. Moreover its internal clocks will register the passage of time; this can be regarded as the meaning of the dynamical phase factor. The remarkable and rather mysterious result of this paper is that in addition the system records its history in a deeply geometrical way, whose natural formulation (9) and (10) involves phase functions hidden in parameter-space regions which the system has not visited. The total phase of the transported state (5) is dominated by the dynamical part, because T-+ oo in the adiabatic limit, and it might be thought that this must overwhelm the geometrical phase 'Yn and make its physical effects difficult to detect. This objection can be met by observing that the strengths of non-adiabatic transitions are exponentially small in T if flchanges smoothly (Hwang & Pechukas 1977), so that essentially adiabatic evolution can occur even when the dynamical phase is only a few times greater than 2n. As we saw in § 3, degeneracies in the spectrum of fl (R) are the singularities of the vector V(R) (equation (10)) in parameter space, and so have an important effect on the geometrical phase factor. This is reminiscent of the part played by singularities of an analytic function, but the analogy is imperfect: if y(C) were completely singularity-determined, V(R) would be the sum of the' magnetic fields' of' monopoles' situated at the degeneracies (cf. (17)) and so would have zero curl, which is not the case (zero curl, unlike zero divergence, is not a property which is invariant under deformations of R space, and in the general case the sources of V are not just monopoles but also 'currents' distributed continuously in parameter space). A closer analogy is with wavefront dislocation lines, which are phase singularities of complex wavefunctions in three-dimensional position space (Nye & Berry 1974; Nye 1981; Berry 1981), that dominate the geometry ofwavefronts without completely determining them. In view of the emphasis on degeneracies as organizing centres for phase changes, it is worth remarking that close approach of energy levels is not a necessary condition for the existence of nontrivial geometrical phase factors. Indeed, our examples have shown that y(C) can be non-zero even ifC involves isospectral deformations of H(R) (in the Aharonov-Bohm illustration, the levels En do not depend on Rat all). The results obtained here are not restricted to quantum mechanics, but apply more generally, to the phase of eigenvectors of any Hermitian matrices under a natural continuation in parameter space. Therefore they have implications throughout wave physics. For example, the electromagnetic field of a single mode travelling along an optical fibre will change sign if the cross section of the fibre is slowly altered so that its path (in the space of shapes) surrounds a shape for which the spectrum of the Helmholtz equation is degenerate (such as one of the diabolical triangles discovered by Berry & Wilkinson 1984).

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[1.6]  83

56

M. V. Berry

I thank Dr J.H.Hannay, Dr E.J.Heller and Dr B.R.Pollard for several suggestions, and Professor Barry Simon for showing me, before publication, his paper which comments on this one. This work was not supported by any military agency.

REFERENCES

Aharonov, Y. & Bohm, D. 1959 Phys. Rev. 115, 485-491. Aharonov, Y. & Susskind, L. 1967 Phys. Rev. 158, 1237-1238. Arnold, V.I. 1978 Mathematical methods of classical dynamics. New York: Springer. Berry, M. V. 1980 Eur. J. Phys. 1, 240-244. Berry, M. V. 1981 Singularities in waves and rays. In Les Bouches Lecture Notes for session XXXV (ed. R. Balian, M. Kleman & J-P. Poirier), pp. 453-543. Amsterdam: NorthHolland. Berry, M. V. & Wilkinson, M. 1984 Proc. R. Soc. Lond. A 392, 15-43. Chambers, R. G. 1960 Phys. Rev. Lett 5, 3-5. Ehrenburg, W. & Siday, R. E. 1949 Proc. phys. Soc. B 62, 8-21. Herzberg, G. & Longuet-Higgins, H. C. 1963 Discuss. Faraday Soc. 35, 77-82. Hwang, J.-T. & Pechukas, P. 1977 J. chem. Phys. 67, 4640-4653. Longuet-Higgins, H. C. 1975 Proc. R. Soc. Lond. A 344, 147-156. Mead, C. A. 1979 J. chem. Phys. 70, 2276-2283. Mead, C. A. 198oa Ohem. Phys. 49, 23-32. Mead, C. A. 198ob Ohem. Phys. 49, 33-38. Mead, C. A. & Truhlar, D. G. 1979 J. chem. Phys. 70, 2284-2296. Messiah, A. 1962 Quantum mechanics, vol. 2. Amsterdam: North-Holland. Morandi, G. & Menossi, E. 1984 Nuovo Oim. B (Submitted.) Nye, J. F. 1981 Proc. R. Soc. Lond. A 378, 219-239. Nye, J. F. & Berry, lVI. V. 1974 Proc. R. Soc. Lond. A 336, 165-190. Rauch, H., Wilting, A., Bauspiess, W. & Bonse, U. 1978 Z. Phys. B 29, 281-284. Rauch, H., Zeilinger, A., Badurek, G., Wilting, A., Bauspiess, W. & Bonse, U. 1975 Physics Lett. A 54, 425-427. Schulman, L. S. 1981 Techniques and Applications of Path Integration. New York: John Wiley. Silverman, M.P. 1980 Eur. J. Phys. 1, 116-123. Simon, B. 1983 Phys. Rev. Lett. (In the press.) Stone, A. J. 1976 Proc. R. Soc. Lond. A 351, 141-150. Von Neumann, J. & Wigner, E. P. 1929 Phys. Z. 30, 467-470. Werner, S. A., Colella, R., Overhauser, A. W. & Eagen, C. F. 1975 Phys. Rev. Lett. 35, 10531055. Wu, T. T. & Yang, C. N. 1975 Phys. Rev. D 12, 3845-3857.

APPENDIX A

To show that y(C) is independent of the surface spanning 0, it is necessary to prove that V(R) (equation (10)) has zero divergence. This can be accomplished by expressing V in terms of the vector Hermitian operator B defined by

B = -i~ IVn) 0 and a point on the projective plane (two spheres with identified antipodes) of relative directions. Exchanges of positions correspond to non-contractible closed loops in this (nonorientable) configuration space.

4. Exchange rotation As we saw in § 2, we need to construct an enlarged representation of spin that incorporates the usual one but allows additional operations that can generate flat exchange. To the extent that these additional operations are unphysical (e.g. by allowing the spins of the two particles to di↵er) they must be unobservable: their only role is to accomplish the exchange. This can be achieved, and the exchange sign calculated, by adapting Schwinger’s representation of spin in terms of harmonic oscillators (Schwinger 1965; Sakurai 1994). For a single spin, two independent (that is, commuting) oscillators are required—the a oscillator, with annihilation and creation operators a and a† , and the b oscillator, with b and b† . From these can be constructed S = (Sx , Sy , Sz ): ✓ ◆ a , S = 12 (a† b† ) b i.e. Sz = 12 (a† a − b† b),

(4.1)

S+ ⌘ Sx + iSy = a† b, S− ⌘ Sx − iSy = b† a, where denotes the vector of Pauli matrices. The components of S satisfy the commutation rules for angular momentum: S ⇥ S = iS.

(4.2)

(Here and hereafter we omit ¯h in expressions involving spins, so that, for example, the eigenvalues of Sz are spin quantum numbers—integer or half-integer—rather than dynamical spins.) In this representation, the eigenstates of S2 and Sz , with quantum numbers S and m, are number states of the oscillators: if there are na quanta in the a oscillator and nb quanta in the b oscillator, then it follows from (4.1) that S = 12 (na + nb ),

m = 12 (na − nb ).

(4.3)

For two spins, we require four oscillators: a1 , b1 , a2 , b2 . The individual spin operators S1 and S2 are constructed by analogy with (4.1). To create exchange, we mix the 1 and 2 oscillators rather than the a and b oscillators. The rationale behind this is that since an ordinary spin rotation from z to −z, generated by S, changes the sign of the m quantum number and so, by (4.3), interchanges the quanta in the a Proc. R. Soc. Lond. A (1997)

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[1.8]  93

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M. V. Berry and J. M. Robbins

and b oscillators, so rotations generated by operators where a and b are replaced by 1 and 2 will interchange the spins. There are two ways of mixing 1 and 2, involving the a and b operators separately, yielding the operator Ea , given by ✓ ◆ a1 Ea = 12 (a†1 a†2 ) , a2 i.e. Eaz = 12 (a†1 a1 − a†2 a2 ),

(4.4)

Ea+ ⌘ Eax + iEay = a†1 a2 , Ea− ⌘ Eax − iEay = a†2 a1 and similarly the operator Eb . Obviously [Ea , Eb ] = 0. The components of Ea satisfy angular momentum commutation relations, as do those of Eb . The linear combination E = Ea + Eb

(4.5)

uniquely shares this property, namely E ⇥ E = iE.

(4.6)

Moreover, by elementary calculations, it can be shown that [Ez , S1 ] = 0,

[Ez , S2 ] = 0,

[E, Stot ] = 0,

(4.7)

where Stot = S1 + S2 . However, S1 and S2 do not commute with E± = Ex ± iEy , and nor do S21 and S22 . In addition, one can show that E2 = S2tot .

(4.8)

We will call E exchange angular momentum, because the group of rotations it generates—exchange rotations—can be chosen to satisfy the requirement (2.3). We begin with a simple geometrically motivated construction: as the line joining the particles is turned from ez to r, the two-spin state is turned by the corresponding exchange rotation. A symmetrical choice for the turn is about an axis n(r) perpendicular to both ez and r. If (✓, φ) are the polar angles of the direction of r, then (4.9) n(r) = −ex sin φ + ey cos φ. With this choice, we let the transported basis be generated by U(r) = exp{−i✓n(r) · E}.

(4.10)

|n1a , n2a , n1b , n2b i = C(a†1 )n1a (a†2 )n2a (b†1 )n1b (b†2 )n2b |0, 0, 0, 0i,

(4.11)

U acts on an enlarged space of spin states, whose dimension, the number of ways the 4S quanta can be distributed among the four oscillators (E leaves Stot invariant), is 1 (4S + 1)(4S + 2)(4S + 3). 6 Now consider the state of the two spins corresponding to n1a , n1b , n2a , n2b , namely where C is a normalization constant. By an obvious extension of (4.3), this can be written in terms of the more familiar quantum numbers for the individual spins: |n1a , n2a , n1b , n2b i = |S1 + m1 , S2 + m2 , S1 − m1 , S2 − m2 i ⌘ |S1 , S2 ; M i.

(4.12)

It then follows from (4.4) and (4.5) that

Ez |S1 , S2 ; M i = (S1 − S2 )|S1 , S2 ; M i.

(4.13)

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Quantum indistinguishability

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For identical spins, S1 = S2 = S, and when S need not be written explicitly we will revert to our previous notation, namely |S1 , S2 ; M i ⌘ |M i.

(4.14)

Ez |M i = 0.

(4.15)

exp(−i↵(r)Ez )|M i = |M i.

(4.16)

From (4.13), we find, for identical spins, the important result This ensures gauge invariance of U: any ine↵ective rotations about the z-axis, applied before U is used to generate the transported basis from the fixed basis, will not introduce phase factors, since Now we have to show that U does indeed generate spin exchange according to (2.3). To evaluate the e↵ect of the exchange rotation operator (4.10), we first note that (4.17) U(r) = exp{−i✓n(r) · Ea } exp{−i✓n(r) · Eb } ⌘ Ua (r)Ub (r) and Ua and Ub commute, so we can consider their actions separately. For this we use the fact that in the Schwinger representation the actions of Ua and Ub on states of arbitrary spin can be evaluated in terms of 2 ⇥ 2 matrices multiplying the vectors of creation operators. Thus Ua (r) induces the transformation 0† † † † (a†1 a†2 ) ! (a0† 1 a2 ) = Ua (r)(a1 a2 )Ua (r)

= (a†1 a†2 ) exp(− 12 i✓n(r) · )

=

(a†1 a†2 )

cos 12 ✓ − exp(−iφ) sin 12 ✓ cos 12 ✓ exp(iφ) sin 12 ✓

!

(4.18)

and similarly for Ub . It is instructive first to allow U(r) to act on the general number state (4.11), where the spins need not be the same. From (4.17) and (4.18), (a†1 )n1a (a†2 )n2a (b†1 )n1b (b†2 )n2b ! (cos 12 ✓ a†1 + exp(iφ) sin 12 ✓ a†2 )n1a ⇥ (− exp(−iφ) sin 12 ✓ a†1 + cos 12 ✓ a†2 )n2a

⇥(cos 12 ✓ b†1 + exp(iφ) sin 12 ✓ b†2 )n1b ⇥ (− exp(−iφ) sin 12 ✓ b†1 + cos 12 ✓ b†2 )n2b . (4.19)

Similarly, under the action of U(−r), where ✓ is replaced by ⇡ − ✓ and φ by φ + ⇡, (a†1 )n1a (a†2 )n2a (b†1 )n1b (b†2 )n2b

! (sin 12 ✓ a†1 − exp(iφ) cos 12 ✓ a†2 )n1a ⇥ (exp(−iφ) cos 12 ✓ a†1 + sin 12 ✓ a†2 )n2a

⇥(sin 12 ✓ b†1 − exp(iφ) cos 12 ✓ b†2 )n1b ⇥ (exp(−iφ) cos 12 ✓ b†1 + sin 12 ✓ b†2 )n2b . (4.20)

Common factors in (4.19) and (4.20) can be identified by pulling out phase factors and there follows, in an obvious extension of our previous notation for the transported basis, |n1a , n2a , n1b , n2b (r)i ⌘ exp{−i✓n(r) · E}|n1a , n2a , n1b , n2b i

= (−1)n2a +n2b (exp(iφ))(−n2a −n2b +n1a +n1b ) |n2a , n1a , n2b , n1b (−r)i, (4.21)

showing that the operator E does indeed generate exchange of spins. Proc. R. Soc. Lond. A (1997)

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An alternative way of writing (4.21) is (cf. equation (4.12)) ¯ (−r)i, |S1 , S2 ; M (r)i = (−1)2S2 exp{2i(S1 − S2 )φ}|S2 , S1 ; M

(4.22)

E · r/r = U(r)Ez U† (r),

(4.23)

E · r|M (r)i = 0.

(4.24)

P(r) ! P(r) + ¯hr↵(r)E · r/r

(4.25)

from which the desired exchange relation (2.3) follows at once on setting S1 = S2 = S, as does the Pauli sign (2.5). This sign can be regarded as arising from the rotation of the second spin by 2⇡ (if φ = 0), or equivalently from the rotation of the first spin by 2⇡ (if φ = ⇡), or equivalently from the rotation of both spins by ⇡ (as in the simplest version of the argument relating exchange to spin rotation (Feynman 1987)). Similar techniques establish that the transported basis |M (r)i is a smooth function of r, notwithstanding the Dirac string singularity in U(r) at the south pole, arising from the half-angles in (4.19) (details are given in Appendix A), and that it is paralleltransported according to (2.4) (details are given in Appendix B). Therefore all the requirements laid down in § 2 are satisfied by the transported basis generated by the exchange angular momentum E defined by (4.4) and (4.5). In the foregoing analysis, the Pauli sign was derived using the particular choice (4.10) of U(r). In fact, this sign is a consequence of any exchange rotation satisfying the conditions (a) and (b) in § 2 (the parallel-transport condition is automatically satisfied); the argument is given in Appendix C. Thus the implications of the conditions are essentially topological. (An example of a more general exchange rotation is (4.10), multiplied on the left by a smooth exchange rotation even in r.) As we have seen, parallel transport implies that the spin space must be enlarged. If such enlargement is abandoned (and with it flat exchange), a ‘counterconstruction’ can be devised, satisfying the conditions a and b in § 2 but leading to bizarre relations between spin and statistics, that depend on the value of spin in the four classes S(mod 2). The counterconstruction is described in Appendix D. Now we elucidate the meaning of the relation (4.15) by writing it in the transported basis. Since (4.15) implies

Therefore E · r annihilates the transported basis states, that is, the transported basis lies in the subspace of eigenvectors of E · r with eigenvalue zero (indeed, this property could have been used to define the transported basis). Eigenvectors where this eigenvalue is not zero correspond to unphysical spin states with S1 6= S2 . The definition of transported operators (e.g. equations (3.9) and (3.10)) ensure that these unphysical states never arise during quantum exchanges. The relation (4.24) also ensures that the transported operators are invariant under gauge transformations generated by exchange rotations about the z-axis: if U(r) is preceded by the exchange rotation in (4.16), P(r) transforms as

and the additional term vanishes for physical states |M (r)i. We note that in ordinary spin rotation, generated by S, the states analogous to the transported spin basis are the m = 0 eigenstates of the spin along r, that is of S · r; in the next section we will have more to say about this analogy. Proc. R. Soc. Lond. A (1997)

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5. Geometric phases To see the relation between the way in which we treat quantum identity and the conventional way, consider the coefficents M,fixed (r) (equation (3.7)) of the fixedbasis wavefunction | (r)ifixed (equation (3.6)). We saw in § 3 that these coefficients are the same as the coefficients M (r) in the transported-basis wavefunction | (r)i (equation (3.1)). According to (3.4) , then, M,fixed (r) acquires the familiar Pauli ¯ ; this is the sign under exchange of positions and spins, that is r ! −r, M ! M usual formulation of spin and statistics. In the transported basis, however, the sign change of the coefficients is compensated by the sign change (2.5) of the transported basis, and the total wave | (r)i is singlevalued. With this observation, the Pauli sign (−1)2S is revealed as a geometric phase factor, arising from parallel transport generated by exchange rotation. As with all geometric phases (Berry 1984; Shapere & Wilczek 1989), this sign is the result of dividing a system into two parts; here they are space and spin, and the space wavefunctions M (r) inherit the phase factor from the transported spin kets, to keep the total state singlevalued. An analogous phenomenon is molecular pseudorotation (Longuet-Higgins et al. 1959; Delacr´etaz et al. 1986), where a geometric sign change in electronic wavefunctions, when transported round a cycle of the nuclear coordinates that encloses an electronic degeneracy P , forces the nuclear wavefunctions to change sign when continued around P . However, the geometric phase in particle exchange does not arise in the familiar way, from the line integral of a vector potential or the flux of a two-form, because these local quantities are zero (equation (2.4)). Rather, the phase is of a di↵erent kind: global, and associated with non-contractible circuits in the doubly connected (and non-orientable) configuration space. As we saw at the end of the last section, the transported basis states are analogous to the transported m = 0 states in ordinary spin rotation, and these too are known to possess spin-dependent geometric sign changes (−1)j , where j is the total spin (Robbins & Berry 1994) for non-contractible circuits in the projective plane, with observable consequences. Mathematically, the familiar geometric phase (produced for example by causing a spin to turn in a cycle) is associated with the Chern class, that is with monopole singularities of the two-form whose flux is the phase. On the other hand, the exchange phase is associated with the first Stiefel–Whitney class (Milnor & Stashe↵ 1974; Nash & Sen 1983; Nakahara 1990) of the two-spin bundle for non-contractible loops in the doubly connected space that incorporates identified states. To explore the connection with the conventional formulation in more detail, we write the state in the transported basis explicitly for two spin- 12 particles. Denoting quantum numbers ± 12 by ±, (3.1) is | (r)i =

++ (r)| + +(r)i +

+− (r)| + −(r)i +

−+ (r)| − +(r)i +

−− (r)| − −(r)i.

(5.1) As we have seen, the requirement that this be singlevalued leads to the conditions (3.4), which we can write as follows, using E to denote even functions and O to denote odd functions: 9 > > ++ (r) = − ++ (−r) ⌘ O1 (r), > > = −− (r) = − −− (−r) ⌘ O−1 (r), (5.2) +− (r) = − −+ (−r) ⌘ E(r) + O0 (r), > > > > ; −+ (r) ⌘ −E(r) + O0 (r). Proc. R. Soc. Lond. A (1997)

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Thus | (r)i = O1 (r)| + +(r)i + O−1 (r)| − −(r)i

+O0 (r)(| + −(r)i + | − +(r)i) + E(r)(| + −(r)i − | − +(r)i). (5.3)

The conventional representation would employ the fixed basis (3.6), where the spin kets lack the r dependence. Since we have already seen that the coefficient functions, ++ (r), etc., are the same in the fixed and transported bases, we can then recognise in (5.3), with transported kets replaced by fixed ones, the familiar decomposition into the triplet of states that are space-odd and spin-even, and the singlet state that is space-even and spin-odd. The traditional form of the exclusion principle follows from the vanishing of | (r)i when the two spin states are the same (++ or −−) and the two positions are the same (r = 0). It follows from the exchange relation (2.5) that the transformation from the fixed to the transported bases reverses the parity of the basis states under spin exchange, thereby restoring the singlevaluedness of the total wavefunction | (r)i. Because the states |m1 m2 (r)i = |M (r)i are not carried into themselves under r ! −r, but rather into (−1)2S |m2 m1 (r)i, the Pauli geometric phase factor (−1)2S is non-abelian. The alternative transported basis |jµ(r)i of eigenstates of total spin (S1 + S2 )2 and its z component (S1 + S2 )z (e.g. the triplet and singlet states of (5.3)) abelianizes the basis |m1 m2 (r)i that we have been using. The states |jµ(r)i are related to |m1 m2 (r)i by the Clebsch–Gordan coefficients in the usual way. Unlike m1 and m2 , j and µ are good quantum numbers under exchange rotations (cf. equation (4.7)), so that |jµ(r)i is carried into itself under r ! −r. The geometric phase it acquires is just like the m = 0 phase for ordinary spin; |jµ(r)i is an eigenstate of r · E, with eigenvalue zero, and is also (unlike |m1 m2 (r)i) an eigenstate of E2 , with eigenvalue j(j + 1) (cf. equation (4.8)), and thus acquires a sign (−1)j under exchange. The relation between (−1)j and the Pauli sign is provided by the Clebsch–Gordan coefficients, which under exchange of spins change by (−1)2S−j . This latter sign was conjectured by Leinaas & Myrheim (1977) to be implicated in the spin-statistics relation, which was completed by regarding the additional sign (−1)j as arising from the parity under position exchange of the spherical harmonics describing the states of total spin.

6. More than two particles For N identical particles with spin S, it is convenient to represent the positions, and the quantum numbers representing the spin components in the z direction, by (cf. equation (2.1)) R ⌘ {r1 , . . . , rN },

M ⌘ {m1 , . . . , mN }.

(6.1)

The elements in these lists (e.g. r2 , m3 ) denote particle properties, and places in the lists denote particle labels. The spin Si of each particle is represented by the pair ai and bi of Schwinger oscillators, in terms of whose operators the state |M i is, in an obvious notation (cf. equation (4.11)), |M i = C

N Y (a†i )S+mi (b†i )S−mi |0i,

(6.2)

i=1

where C is a normalization constant. Proc. R. Soc. Lond. A (1997)

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For N > 2, we must consider general permutations of positions R and spins M , not only two-particle exchanges. Permutations will be denoted by g, and we adopt the convention that properties of particle i are transferred to particle g(i). Thus, for the three-particle permutation g(1) = 3, g(2) = 1, g(3) = 2, |g{m1 , m2 , m3 }i = |mg−1 (1) , mg−1 (2) , mg−1 (3) i = |m2 , m3 , m1 i.

(6.3)

The general transformation is conveniently expressed in terms of permutation matrices, that is |gM i = |P1j (g)mj , P2j (g)mj , . . .i,

where Pij (g) ⌘ δi,g(j) .

(6.4)

Every g can be factored into a product of exchanges, and has a parity "(g), defined, independently of the chosen sequence, as 0 or 1 if the number of exchanges is even (i.e. det Pij = +1) or odd (i.e. det Pij = −1). As in § 2 we represent the spin states with a transported basis |M (R)i that depends on the positions, obtained (cf. equation (2.2)) from the fixed basis |M i by |M (R)i = U(R)|M i.

(6.5)

|gM (gR)i = (−1)K(g) |M (R)i.

(6.6)

The basis must be a singlevalued and smooth function of R, chosen so that the spins are permuted along with the positions, that is (cf. equation (2.3)) It is possible to envisage more general phase factors (we do not consider parastatistics), but the restriction to a sign follows from the argument given after (2.3), and the fact that any g can be decomposed into exchanges. As also explained after (2.3), K(g) is independent of R and M . The basis must be parallel-transported, that is (cf. equation (2.4)) hM 0 (R)|rR M (R)i = 0. (6.7) The unitary operator U(R) will be a ‘permutation rotation’, a generalization of exchange rotations to be defined later. As we will show, any permutation rotation satisfying the conditions implies that the sign in (6.6) is K(g) = 2S"(g),

i.e. |gM (gR)i = (−1)2S"(g) |M (R)i,

(6.8)

from which will follow the spin-statistics relation. There remains the problem of finding an explicit general construction, for all N > 2, of a U(R) that generates a smooth transported basis satisfying the above conditions, as we did for N = 2 with (4.9) and (4.10). This is a difficult problem (one reason being that permutations do not commute) and we have not solved it; in our view the difficulties are technical rather than fundamental. We do have an explicit construction for N = 3 (it is rather elaborate), and we envisage several possibilities for the general case. These will be reported more fully elsewhere; below, we formulate the mathematical problem involved in such constructions. Given the sign (6.8), we proceed as in § 3, and represent any state | (R)i of the N particles by the (2S + 1)N -dimensional vector M (R) (cf. equation (3.1)), where X (6.9) | (R)i = M (R)|M (R)i. M

With this representation we must identify the configurations R and gR, since these

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correspond to a permutation of spins as well as positions and so are indistinguishable; therefore the wavefunction must be singlevalued. Imposing this condition, and using (6.8), gives X X | (R)i = | (gR)i = M (gR)|M (gR)i = gM (gR)|gM (gR)i M

2S"(g)

= (−1)

X

M

gM (gR)|M (R)i.

(6.10)

M

From (6.9) now follows gM (gR)

= (−1)2S"(g)

M (R).

(6.11)

By an identical argument to that following (3.4), this can be interpreted as the spin-statistics connection in its familiar form. To obtain the sign (6.8), we write each permutation g as a product over L exchanges el : g = eL eL−1 · · · e1 . (6.12) Applying these exchanges in sequence gives |gM (gR)i = |eL (eL−1 · · · e1 M )(eL (eL−1 · · · e1 R))i

= (−1)K(eL ) |eL−1 · · · e1 M (eL−1 · · · e1 R)i

= (−1)K(eL )+K(eL−1 )+···+K(e1 ) |M (R)i,

(6.13)

where K(el ) is the sign associated with the lth exchange. From invariance under relabelling, all these signs are the same, so PL (−1)K(g) = (−1) l=1 K(el ) = (−1)LK(e1 ) = (−1)K(e1 )"(g) . (6.14)

At the end of Appendix C we show that K(e1 ) = 2S, which is the sign obtained in § 4 for the exchange of two isolated particles; thence (6.8). Before discussing the construction of the transported basis, we must define permutation rotations. Let E(ij) be exchange angular momentum operators for the particle pairs i, j, defined (cf. equations (4.4) and (4.5)) in terms of the Schwinger oscillators ai , bi for each of the spins Si by (ij)

E(ij) = E(ij) + Eb , a where E(ij) a

(ij)

=

1 † † (a a ) 2 i j

(6.15)

✓ ◆ ai , aj

† 1 † i.e. E(ij) az = 2 (ai ai − aj aj ),

(6.16)

(ij)

† † (ij) (ij) Ea+ ⌘ E(ij) Ea− ⌘ E(ij) ax + iEay = ai aj , ax − iEay = aj ai (ij) and similarly for Eb . Permutation rotations are the unitary operators generated by the exchange angular momenta E(ij) , namely � ⇢ N X cµ⌫ (R) · E(µ⌫) . (6.17) U(R) = exp − i µm 2 } labels the spin state of the particles, with component of spin; exchange of spins corresponds to M

-7 M

m denoting the z

= {m 2 ,mi}. fM(r)) is

the transported spin basis, that is, a basis for representing spins in a way that depends on the relative position of the particles, with the exchange requirement (3)

where K is an integer (see [1, 2]), implying that exchange generates a sign rather than some more general phase factor. The coefficients 'I'M(r) describe the spatial dependence of the state. The representation (2) is to be contrasted with the familiar expansion in terms of a fixed spin basis IM), namely

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i'f'(r))f.!Xect = M L lfiM (r)IM).

(4)

As was shown in [1], the coefficients lfiM(r) - which are, after all, the physically measurable quantities (up to a single overall phase) - are the same as those in (2) (see also section 3 later). With i'f'(r)) fixed, there is no spin exchange accompanying position exchange, so indistinguishability is not incorporated and there is no justification for imposing the singlevaluedness requirement (1). With (2), however, the application of (1) implies that any sign change (3) of the transported basis is compensated by a sign change in the coefficients: (5)

This is the usual form in which SS is assumed. Of course, to reproduce the SS, rather than a generic form of SS, it is necessary to show that

K=2S.

(6)

This requires consideration of the transported basis IM(r)), as will be described in section 3. It is important to emphasize that with the representation (2), SS, in the form (5), emerges as a quantization condition implied by singlevaluedness. This brings SS into the same framework as other derivations within elementary quantum mechanics. For example the quantization of a component mli of orbital angular momentum using wavefunctions requires singlevaluedness of exp(im¢) under ¢--H/>+27r, reflecting the fact that these two angles represent the same point. And in the Aharonov-Bohm effect [10, 11] a similar application of singlevaluedness is required to get a definite (and experimentally confirmed) prediction for quantum scattering by inaccessible magnetic flux. In fact, in every situation that we kaow in elementary quantum mechanics, wavefunctions representing the same configuration are the same (up to choice of gauge). In effect, the incorporation of the transported basis as in (2) enables r and -r to be regarded as the same point in the configuration space of the two particles. This identification changes the topology of the configuration space, making it nonorientable and non-simply-connected. The space is the direct product of the centre of mass, the separation distance r=lrl, and the projective plane (2-sphere with antipodal points identified) that represents directions r/r. An intrinsic procedure would be to construct

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112   A Half-Century of Physical Asymptotics and other Diversions

quantum mechanics by erecting two-spin bundles on this base space, and this has been systematically carried out [12]. However, we will here continue to use the more elementary approach of regarding r as a euclidean vector and then imposing singlevaluedness under r-+r. (This is analogous to the common and convenient procedure of regarding azimuth angles ¢as variables with values on the real line -oo

< 1> < oo, and then insisting that functions are periodic, rather than considering

functions whose domain is the circle.)

3. TRANSPORTED BASIS The basis IM(r)) is a set of (2S+1? spinors, because the

z quantum numbers m1 and

m 2 of the two spins can range from -S ~o +S. Each spinor is required to be a singlevalued and smooth function of r. In addition, we impose the parallel-transport

requirement AM,M'

=i(M'(r)IVM(r)) = 0,

(7)

to guarantee the vanishing of the curvature of the connection between neighbouring positions r ('flat exchange'). (For further discussion, see [12].) Parallel transport implies that IM(r)) inhabits an ambient space, within which it is smoothly transported, that is larger than the (2S+ 1f-dimensional space of the fixed basis JM). Without enlargement, (7) would imply that IM(r)) is independent of rand so unable to satisfy the fundamental exchange requirement (3). We find it necessary to emphasize that this enlargement is in no way undesirable or unphysical. Nor is it unfamiliar: in [1] we give the analogy of lit.;ht in a coiled optical fibre, where transversality implies that in a frame whose z axis is along the the local propagation direction the electric field vector can be described with only two components (x andy) whereas a fixed basis requires all three components. An even simpler analogy is that in a space r={x, y, z}, each vector in a field v(r) possesses only one component when described in a local frame {x 1, xb x 3 } whose x 3 axis is directed along v, but requires three components in the ambient space {x, y, z}. The transformation between the transported and fixed bases is described by a unitary operator U(r), such that I'P(r )) = U(r )I'P(r ))fixed' IM(r)) = U(r )J M).

(8)

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An immediate consequence is the equality lfiM

(r) = (M (r)i'l' (r)) = (MI'I' (r))fixect

(9)

asserted after (4). As described in [1, 2], U(r) also generates dynamical variables (e.g. momentum and spin) in the transported basis from their more familiar fixed counterparts, thereby guaranteeing that all local physics (for example Schrodinger equations derived from hamiltonians) is the same as in the fixed basis. The main technical content of [1] was a construction of U(r). In this, each of the two spins was represented by the formalism of Schwinger [13], by two harmonic oscillators:

a 1 and b 1 for one particle, and a2 and b 2 for the other. Each of these four oscillators had its own creation and annihilation operator, with operators corresponding to different oscillators commuting. The dimension of the ambient space, on which U acts and within which the (2S+ 1) 2 states IM(r )) are smoothly transported, is the number of ways that 4S quanta can be distributed among four oscillators, namely (4S+ 1)(4S+2)( 4S+3)/6; for S=l/2, there are 10 such states, in contrast to the four fixed-basis and transportedbasis states. Exchange was incorporated using the following insight. For a single spin, interchanging the number of quanta in its a and b oscillators corresponds to replacement of m by -m, equivalent to a rotation of the axis of quantization from z to z. Therefore, interchanging the quanta in the 1 and 2 oscillators corresponds to exchanging the spin states of the two particles and can be used to define an 'exchange angular momentum', analogous to spin, which generates 'exchange rotations' U(r) from z to r, whose effect is precisely to generate a transported basis with the desired exchange property (3). With this construction, in which each spin is decomposed into its 'atomic spin bosons', it was possible to make an explicit calculation of the exchange sign in (3), and the result was the correct SS sign (6). The calculation was extended in I from two toN identical particles. In [1] we suggested that any construction of the transported basis that was smooth, singlevalued and parallel-transported would lead to the correct exchange sign. This was wrong. In [2] we exhibited two 'perverse' constructions that satisfy these requirements but which, unlike those based on the Schwinger formalism, lead to the wrong sign. The first perverse construction applies to spin S=O, and reflects a question frequently asked by people sceptical of the arguments in [1]: can the exchange of two spinless particles be accompanied by a fermionic sign? In this pervP-rse construction, they can. The single transported state is represented as the unit vector

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IM(r )) = I{O,O}(r )) = r !JrJ.

(10)

This is singlevalued, smooth, and parallel-transported, and involves the extended spin space spanned by the three basis states ex, eY and ez, of which only one (e.g. ez) corresponds to the fixed-spin state 1{0,0}). The operator U(r) is then rotation from ezto r. Under r~ -r, IM(r)) changes sign fermionically, rather than being bosonically

invariant. The second perverse construction in [2] applies to spin S=l/2, and consists in replacing all commutators in the Schwinger formalism by anticommutators. For this 'anti-Schwinger' construction, the exchange sign is +1, rather than the fermionic -1. We have not found a general principle to exclude these perverse constructions, and others that generate the wrong exchange sign. However, all the perverse constructions we have found are defective in one or more ways, described in [2]. For example, the spin-zero fermion construction fails the test of simplicity, because (10) is decomposable into a constant (unity) that satisfies the requirements - and is what Schwinger gives and a superfluous factor with no intrinsic connection to spin. And the anti-Schwinger construction is special in that it applies only to S=l/2 and so fails to describe the statistics of composite objects that can have any spin (there are generalizations of antiSchwinger for higher spins, but they are cumbersnme). By contrast, the Schwinger construction applies for all spins (and also for all N- see section 4 ), generates the transported basis without superfluous factors, and also is intrinsically related to spin. In the reformulation of our approach by constructing N-spin bundles on the identified configuration space [12], the Schwinger construction emerges as the simplest implementation of the geometrical requirements.

4. ATIYAH'S CONSTRUCTION for NPARTICLES In [1] we extended the Schwinger construction to the general case ofN particles (with permutations instead of exchanges). TheN spins are built from 2N oscillators, from whose creation and annihilation operators it is possible to construct 'permutation angular momenta', generating 'permutation rotations' and thence the transported basis states. We showed that any such construction must yield the correct SS sign. But we were unable to exhibit an explicit constructim,, analogous to the exchange rotation from

z to r

for two particles. We reduced the problem to that of finding a unitary NxN matrix UJR), smoothly dependent on the positions R={r 1, ... rN}, with the property that any

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permutation of the r; results in the corresponding permutation of its columns, up to an overall phase. Recently, Atiyah [6] has produced several such constructions. Here we will describe the simplest. The matrix Uu(R) is obtained from the polar decomposition of an NxN matrix Vu(R), each of whose columns v/R) is associated with the jth particle, so that the required permutation property is assured. It suffices to explain v 1(R). Let the directions (r2-r 1)/l r 2-r 11, ... (rN-r 1)/l rN-r 1l of the other particles, as seen from 1, be described by their complex stereographic coordinates 2 , ••. i;v (that is, the real and

s

imaginary parts of

~

are the cartesian coordinates of the intersection with the equatorial

plane of the line joining the south pole of the unit sphere centred on r 1 to the point where the vector connecting r 1 to r1 intersects the sphere). Then the components vm, 1of v 1 are the coefficients in the expansion N

P (z) = I

N

IT (z - r ) = L _ ':!n _

zm-!

m-! ~( m -l)'(N .

n-2

_ m.)'

v

m,l·

(11)

The orthogonalization leading to Uu(R) requires the columns vi(R) to be independent, that is detVii(R};t:O for any configuration R where no two particles coincide. At present this is a plausible conjecture, proved for N=3 and some special cases (e.g. N particles in a line), but not generally; this problem remains open. Independence of the columns has however been shown for a more elaborate version of this construction [6].

5. EXTENDED SPIN-STATISTICS RELATIONS FOR PARTICLES WITH ADDITIONAL PROPERTIES Returning now to two particles, we incorporate into the theory the fact that particles can be characterised not only by position and spin but by one or more further quantum properties, that we denote by P. Examples of Pare isospin, strangeness and colour. We denote the values of P by p (assumed discrete), and the pair of values for two particlesand the associated exchanged pair - by (12)

If we regard P as describing different states of identical particles, the argument we employed in [1] to derive the spin-statistics relation can be extended by requiring the state to be singlevalued under full exchange, including P ~pas well as r~-r.

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To implement this idea, we write the state of the- two particles as

l'¥p(r )) =I lfiM ,P(r )IM(r )),

(13)

M

in which IM(r)) is the same transported spin basis as before, with the exchange sign (3) and (6). Singlevaluedness, that is (14)

leads to the extended spin-statistics relation (15)

This is consistent with the requirement that the original spin-statistics relation must hold when the P state of both particles is the same, that is P = P . In the above argument, P has been treated differently from spin, notwithstanding the fact that the operators representing P (e.g. isospin) can have the same mathematical structure as angular momenta. The reason is that such mathematical resemblance conceals a physical difference: it is spin, and not any other property P, that is uniquely related to spatial rotations, because of its connection (section 6) with galilean or Lorentz invariance. An argument similar to that leading to (15) has been given [14] in the context of Kaluza-Klein theory. The decision to regard the particles as identical, embodied in (14), needs further discussion. An alternative possibility would be to regard the different values PI, P2 as distinguishing the particles. It seems absurd to consider macroscopic objects such as apples and pears as identical particles in different states of quantum fruitiness (P). Nevertheless, it is possible to choose to do th1s - but the choice is inconsequential, because as is well known it leaves unconstrained the symmetry of the space-spin part of the state- the symmetry of the P part of the state can always be adjusted to satisfy (15). The extended spin-statistics relation has consequences only when superpositions of states with different p are meaningful, and the interactions are such that transitions can occur between them (so that the P physics is coherently entangled with the space-spin physics).

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6. SPIN AND RELATIVITY There is a complicated history of derivations of SS[4] using arguments that rely on relativity, involving successively more refined postulates (causality, absence of negative-energy states, hermitean fields ... ). This raises the question of the relation between relativistic approaches and our nonrelativistic formulation. On this subject we can make only scattered remarks. First we should point out that our derivation was nonrelativistic in the sense that it made no use of relativity, and not in the sense of being a low-velocity approximation. Since time never entered our considerations, the exchanges we considered (involving the variables rand M) can be regarded as taking place at fixed time. But fixed time is not relativistically invariant. Regarded relativistically, our exchanges were spacelike. This makes our arguments appear complementary to the some of the quantum field theoretic ones [15, 16], which involve the creation of pairs of antiparticles, and therefore are based on timelike exchanges. Second, although we considered only the relation between spin and statistics, and not the origin of spin itself, the widespread belief that spin is unavoidably relativistic has led to doubts about our arguments involving exchange. But the existence of spin is equally a consequence of galilean relativity as of einsteinian relativity. This point has been well made before [17, 18], and it is not necessary to repeat the general arguments. However, we think it worth outlining the galilean spin-1/2 case in the simplest and least technical way, in an argument attributed to Feynman [19]. This is done in the Appendix. Third, there is the intriguing possibility that the field-theoretic arguments could be made to operate in reverse, in the following sense. Suppose that the nonrelativistic programme outlined here is eventually completed, so that it would become clear that SS is embedded in quantum mechanics in a fundamental way, more primitive than field theory. Then instead of deriving SS by demanding that field theory satisfy certain requirements, such as causality and energy positivity, the knowledge that SS must be true might be invoked to show that field theory already possesses these desirable properties. This would be much more satisfactory, after all, than having to impose them.

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Fourth, we are not aware that there exists any relativistic field theory, for particles with spin, that involves the configuration space we use here, where indistinguishability is incorporated geometrically by the identification of permuted configurations. Fifth, we note that Anandan [14] has presented a relativistic generalization of our construction, in what may be a first step in establishing a bridge to the field-theoretic arguments.

APPENDIX. GALILEAN TRANSFORMATIONS AND SPIN 1/2 For a free particle without spin, with hamiltonian H=p2f2m, Schrodinger's equation

in~m 1/f(r,t) = _.!!?:._ v;l/f(r,t) 2m

(Al)

is Galilean-invariant in the following sense. Under the transformation to

=t- T, r -7 r1 = Rr - vt- a, 2 1/f(r,t) -7 ll'l (r1,tJ) =1/f(r,t)exp{-i ~ ( v· r1 + ~v ti)} t -7 t1

(A2)

where Tis a constant scalar, a and v are constant vectors, and R is a constant rotation matrix, the equation preserves its form: (A3)

For a particle with spin 112, this invariance is obviously shared by the two-spinor Schrodinger equation generated by the free 2x2 matrix Hamiltonian

1 (S·p)2 =-p 1 21, H=2m 2m

(A4)

where S is the vector of Pauli matrices. In both cases, external fields with potentials A(r,t), V(r,t) can then be introduced by minimal coupling to the particle's charge q through p-7p-qA(r,t).

(A5)

and addition of qV(r,t) to H. In the spin 112 case, coupling to the first equation in (A4) leads to

13

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[1.9]  119

1 2 H=- (S·(p-qA)) +qV(r,t)

2m

= -

1

2m

(p- qA(r,t)] 2 1- ~S- B(r,t) + qV(r,t).

(A6)

2m

where B=VxA. This is the Pauli equation, with the spin operator S=hS/4;rr coupled to the magnetic field with a magnetic moment m, that is

q1i qs q1i -S·B=m·B where m=-5=-. 2m ' 2m m

(A7)

This m, originating in a free equation that is invariant under galilean transformations, is the same - that is, it has the same gyromagnetic ratio - as that in the corresponding Dirac equation, which is Lorentz-invariant.

REFERENCES I.

Berry, M. V., and Robbins, J. M., Indistinguishability for quantum particles: spin, statistics and the geometric phase. Proc. Roy. Soc. Land. A453, 1771-1790 (1997).

2.

Berry, M. V., and Robbins, J. M., Quantum indistinguishability: alternative constructions of the transported basis. 1. Phys. A (Letters) 33, L207-L214.

3.

Pauli, W., Connection between spin and statistics. Phy,. Rev. 58,716-722 (1940).

4.

Duck, 1., and Sudarshan, E. C. G., Pauli and the spin-statistics theorem , World Scientific, Singapore,

5.

1997. Duck, 1., and Sudarshan, E. C. G., Toward an understanding of the spin-statistics theorem. Am. J.

6.

Phys. 66, 284-303 (1998). Atiyah, M., Geometry of classical particles. Asian Journal of Mathematics, in press (2000).

7.

Laidlaw, M. G. G., and DeWitt, C. M., Feynman functional integrals for systems of indistinguishable

8.

Leinaas, J. M., and Myrheim, J., On the theory of identical particles. Nuovo Cim. 37B, 1-23 (1977).

9.

Sorkin, R., Particle statistics in three dimensions. Phys. Rev. D. 27, 1787-1792 (1983).

particles. Phys. Rev. D. 3, 1375-1378 (1971).

10. Aharonov, Y., and Bohm, D., Significance of electromagnetic potentials in the quantum theory. Phys.

Rev. 115, 485-491 (1959). II. Olariu, S., Popescu, 1., and 1.1., 1., The quantum effects of electromagnetic fluxes. Revs. Mod. Phys. 57, 339-436 (1985). 12. Robbins, J. M., in preparation (2000). 13. Schwinger, J., "On angular momentum", in Quantum theory of angular momentum (L. C. Biedenharn, and H. Van Dam, Eds.), Academic Press, New York, 1965, pp. 229-279. 14. Anandan, J., Spin-statistics connection and relativistic Kaluza-Klein space-time. Physics Letters A 248, 124-130 (1998). 15. Balachandran, A. P., Daughton, A., Gu, Z.-C., Sorkin, R. D., Marmo, G., and Srivastava, A. M., Spin-statistics theorems without relativity or field theory. Int. I. Mod. Phys. AS, 2993-3044 ( 1993).

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120   A Half-Century of Physical Asymptotics and other Diversions 16. Feynman, R. P., "The reason for antiparticles", in The 1986 Dirac memoria/lectures (R. P. Feynman, and S. Weinberg, Eds.), Cambridge University Press, New York, 1987. 17. Levy-Leb1ond, J.-M., Nonrelativistic particles and wave equations. Commun. Math. Phys 6, 286-311 (1967). 18. Levy-Leb1ond, J.-M., The pedagogical role and epistemological significance of group theory in quantum mechanics. Riv. Nuovo. Cim 4, 99-143 (1974). 19. Mackintosh, A. R., The Stern-Gerlach experiment, electron spin and intermediate quantum mechanics. Eur. J. Phys. 4, 97-106 (1983).

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Chapter 2

Caustics and Related Optics

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     B1988   International Economics Global Markets and Competition (4th Edition)

“7x10”

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Chapter 2: Caustics and Related Optics   123

My first teaching assignment, while still a Ph.D. student at St Andrews, was to give the graduate course in general relativity. In this daunting task, I was greatly assisted by the eloquent presentations in the books by J. L. Synge, so I seized the chance to hear his lectures in London the following year. But his topic was not relativity; instead, he spoke about the Hamiltonian theory of rays and waves. This subject, and Synge’s presentation of it, enchanted me, and I immediately conceived a postgraduate research project: to marry the largely geometric descriptive approach of Synge with the refined asymptotics of my St. Andrews supervisor Bob Dingle (see Chapter 4 and [7.8]). The resulting ‘physical asymptotics’ has animated much of my research. The earliest fruits of this inspiration from Synge were papers from the late 1960s [B6, B8, B11] on semiclassical quantum scattering. In this work, I recognised the central importance of caustics as the envelopes (focal sets) of families of classical trajectories, and the need for more sophisticated ‘uniform asymptotics’ [B10] to accommodate them. But it was only in the mid-1970s, after John Ziman showed me the book on catastrophe theory by the mystical and visionary mathematician René Thom, and Christopher Zeeman helped deconstruct it for me, that I recognised the central importance for natural caustics of the property of genericity (equivalent terms are structural stability and universality). This emphasis on what is typical, rather than exactly solvable special cases, was emerging elsewhere in physics at the same time: in statistical mechanics, as the ‘universality classes’ of critical behaviour associated with phase transitions, and in chaotic dynamics (see Chapter 3 and [B76]). Thom’s mathematics, and its extension by Vladimir Arnold [7.10], provided a classification of stable caustics. A bonus was that this mathematics, initially rooted in the geometry of classical trajectories or the light rays of geometrical optics, also provided a framework for describing ‘diffraction catastrophes’: the delicate and characteristic patterns of wave interference that decorate the geometrical caustics. The mathematical representation of diffraction catastrophes by oscillatory integrals led to a new class of special functions [B326, B421], explored in detail theoretically and experimentally (see e.g. [B79]). The first application of this insight [2.1] was to the scattering of beams of molecules from the periodically undulating surfaces of crystals. The usefulness of what seemed at that time abstruse mathematics was confirmed by its prediction of an unexpected far-field caustic when the surface profile was non-separable. A more general exposition [2.2] followed. For some time, I had realised that many features of quantum waves have their more accessible counterparts in optics. Applied to caustics, this flowered into the extensive development of ‘catastrophe optics’ in Bristol in the late 1970s, in collaborations with Colin Upstill, Francis Wright and John Nye. This activity

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124   A Half-Century of Physical Asymptotics and other Diversions

culminated in several reviews ([B89], [B105]). The richest application [B58] of this circle of ideas, which turned out to require the full hierarchy of diffraction catastrophes, was to the statistics of fluctuations in random short waves (e.g. strongly twinkling starlight). The predictions of this theory still await detailed experimental investigation (notwithstanding our early attempt [B114]). In 1979, the late Nandor Balazs and I found the ‘Airy packet’ [B78] solution of the free-space time-dependent Schrödinger equation, representing a wave that evolves without spreading and while accelerating. Both properties seem to contradict insights about waves and classical trajectories on which no forces act; but there is no paradox because what is accelerating are not the individual (straight) rays but their caustic. Optical scientists then realised that when implemented via the paraxial wave equation, the same solution represents a wave that bends as it propagates diffractionlessly in a uniform medium: an ‘Airy beam’, now understood as the simplest member of a large class of curved (‘accelerating’) optical beams (see also [B496]). My fascination with optics, and especially its history ([2.3], [2.4]), widened. I came to realise [2.5] the importance of the 1830s. In that decade, the three main singularities of light (and waves more generally) began to be understood: singularities of ray families (i.e. caustics), of phase, and of polarization. A new look ([2.6], [2.7]) at the ‘conoscopic figures’ — interference patterns in thin sheets of anisotropic material viewed through crossed polarizers — with Rajendra Bhandari and Susanne Klein, led to a reformulation of classical crystal optics [B355], with Mark Dennis, in which we unified birefringence, chirality and anisotropic absorption in terms of singularities in direction space. In turn, this led, in collaboration with Mike Jeffrey, to a comprehensive understanding of Hamilton’s conical refraction [B360, B386, B387, B393, B423], and a review [2.8] of this astonishing phenomenon. Extreme interference, associated with the superposition of many waves with arithmetically-related phases that give rise to striking coherence phenomena, was explored in a mathematical study with Joel Goldberg ([B171], published as the first paper in the new journal Nonlinearity (whose name I had coined). Several years later, I realised that essentially the same mathematics — generalising the Gauss sums of number theory — provides a comprehensive understanding of the optical Talbot effect (in [B274] with Susanne Klein) and its formal counterpart in quantum physics, namely revivals of a periodic initial state [B275]. An unexpected consequence was the prediction, with Eberhard Bodenschatz [B304], that coherent interference of waves can generate patterns identical to diffraction catastrophes, even where there are no geometrical rays. This body of work culminated in a review [2.9] with Irene Marzoli and Wolfgang Schleich. I was, and remain, delighted by unusual or striking optical phenomena, and

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Chapter 2: Caustics and Related Optics   125

finding, or commenting on, simple explanations of them: extreme non-paraxiality in reflections from complete spheres [2.10], bright-edged ‘shadows’ (actually caustics) below rippling water ([B111], with Jo Hajnal), oxymoronic black-andwhite fringes from white light ([B256], with Anna Wilson), ‘Laplacian’ images in oriental magic mirrors [2.11] and their transmission counterpart ‘magic windows’ (see [B497]), Anderson localization controlling reflections from stacks of plastic overhead-projector sheets (‘Transparent mirrors’ [B281], with Susanne Klein), polarization singularities in the blue sky ([B373], with Mark Dennis and Raymond Lee), and Raman’s curious error in explaining mirages ([B465], [7.1]). A collection of claritons concerning the optics of nature [2.12] was my celebration of 2015 as the International Year of Light. Another dramatic wave phenomenon, in surface waves on water rather than light, is the ‘bore’, on the River Severn near Bristol, in which the incoming tide arrives suddenly and the downstream flow reverses direction. I was privileged to witness the world’s biggest bore: the ‘Silver Dragon’ on the Qiantang river near Hangzhou [2.13].

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126   A Half-Century of Physical Asymptotics and other Diversions J. Phys. A: Math. Gen., Vol. 8, No.4, 1975. Printed m Great Britain.

@

1975

Cusped rainbows and incoherence effects in the rippling-mirror model for particle scattering from surfaces M V Berry H H Wills Physics Laboratory, Bristol University, Tyndall Avenue, Bristol BS8 ITL, UK

Received 9 September 1974

Abstract. We consider scattering from a corrugated hard surface I: with random moving perturbations (a 'rippling mirror'). Kirchhoff's approximation enables the classical limit, diffraction effects and incoherence to be treated within the same framework. The classical rainbow is a curve ql)'l2 __. 0

Hq small

J2/Ro

HqJ2

(5.19)

4nHJ2

~- .A.oRo

Hq large.

(Qb is the '1/e halfwidth' of the Q dependence of/'.) In order to be able to invert experimental data to find C(Q, f.l), Qb must be small in comparison with the separation 2n/a of the diffracted beams. Finally we recognize that diffuse scattering will blur the rainbow structure arising under semiclassical conditions. To resolve an individual Airy maximum, Qb must be small compared with ~r (equation (4.13)), ie

HaJ2 R 0 26 13 (2nh 0 ) 113 « 1.

(5.20)

For sufficiently small .A. 0 this condition is always violated. To resolve the separation between rainbow lines ~1 and ~2 (figure 3) along Gx, Qb must be small compared with ~x or ~Y (equation (3.16)), ie

aHJ2 ---"- « 1. 4nEh 0 R 0

(5.21)

To resolve the separation between a cusp of ~2 and the nearest part of ~1 , Qb must be small compared with flc (equation (3.15)), ie

HJ2 These three conditions assume that the scattering from h, is nearly classical, so that the 'large Hq' limiting form in (5.19) can be used; if, however, the scattering from h, is weak, we must use the 'small Hq' form for Qb.

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144   A Half-Century of Physical Asymptotics and other Diversions J. Phys. A: Math. Gen., Vol. 8. © 1975-M V Berry

(a I

(b)

Figure 7. (Plate) (a) Caustics of refraction from periodically frosted glass surface (a = ! mm), using laser light (.ic = 6328 A). Compare with figures 3 and 4. (b) detail near cusp showing quantization into diffraction spots G.

[facing page 583]

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[2.1]  145

Surface scattering: cusped rainbows and incoherence

6.

583

Disc~ion

The properties of rainbows predicted in§§ 3 and 4 are strikingly confirmed by an optical analogue experiment based on refraction. Laser light transmitted through periodically frosted glass (such as is often used for bathroom windows) is observed on a distant screen. Figure 7(a) (plate) is a photograph of the resulting pattern. The two rainbow lines !2 ; they occur where ldQjdR I vanishes and I is infinite. Therefore caustics are the images in Q of the lines .P on W where K vanishes (fig. 2). These directional caustics at infinity are of course the asymptotes of the more complicated spatial caustics beyond W. Thorn's theorem, to be discussed in § 3, tells us about the forms the caustics may take. Crucial to the application of Thorn's theorem is the fact that the trajectories (4) can be derived from a generating function (R, Q), of the form (R, Q)=Q. R+f(R),

(7)

by the gradient conditions (8)

The generating function is a single-valued non-singular function of its arguments R and Q, whereas the action function of the family of trajectories, namely (9)

is a many-valued function of Q because there may be many points Ri sending trajectories to Q. The different 'branches ' Si join on the caustic. That (9) is indeed the ' directional action ' can easily be verified by calculating the optical distance along a trajectory from W to some finite point and then letting the point recede to infinity in direction Q. The existence of a generating function is not confined to our simple example; Janich (1974) and Maslov (1972) (see also Duistermaat (1974)) show that all Hamiltonian families of trajectories can be derived from generating functions. Introducing the language of catastrophe theory, we say that Q are the control parameters, on which the observable intensity I depends. In the general case Q need not represent direction ; it could include position in space, time, parameters affecting the shape of scattering potentials or diffracting objects, the refractive index of a medium, etc. The auxiliary quantities R, on which I does not depend, are called the state variables. The vectors R and Q may have any number of components. It is usually not difficult to find the generating function for a particular situation and there are general techniques (described by the authors cited) involving the introduction of variables canonically conjugate to those in which the caustics appear, the generating function being the solution of an appropriate Hamilton-Jacobi equation in mixed coordinate-momentum representation (see also Kravtsov 1968). On the wave theory the intensity for the simple model system can be found to a close approximation by methods described by Berry (1975). The result (which is almost obvious) is the Fraunhofer diffraction integral

I(Q)= where

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tf!

lt/1(!2)1 2 =

~ 2~JJ dRexp [ik(R, Q)] ,

2 ,

(10)

is the wave amplitude, is given by eqn. (7), and k = 2TT/ A.

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152   A Half-Century of Physical Asymptotics and other Diversions

M. V. Berry

6

In § 5 we shall show how to evaluate diffraction integrals of this type. At this point we note that the exponent in the integrand is proportional to precisely the function just introduced to generate the trajectories. Maslov (1972) shows that this is a general feature of integrals that are asymptotic approximations (valid as k---->oo) to wave functions. (For an example of such an integral representation in scattering theory see § 6 of Berry and Mount (1972).) § 3. THOM'S THEOREM Caustics, then, are singularities of gradient maps of the form (8) derived from generating functions (R, .Q). Thorn's theorem concerns caustics with the property of structural stability. This means that a perturbation (e.g. of the Hamiltonian or of the initial wavefront W) leaves the local structure of the caustic unchanged in the sense that the perturbed and unperturbed caustics are related by a smooth reversible transformation (a ' diffeomorphism '). A situation in which the caustics are structurally stable is ' generic '-there is ' nothing special ' about it. A structurally unstable caustic, on the other hand, whose topological type is changed by perturbation, results from a 'non-generic ' situation where some special symmetry exists. The theorem states (Wassermann 1974, Brocker 1975) that there exists only a finite number of types of structurally stable caustic for each value of the dimensionality n of the control parameter space n, and it gives explicit standard forms for the generating functions when n is less than 7. n is called the co-dimension of the caustic. Thorn calls the standard caustics the ' elementary catastrophes '. It is remarkable that for fixed n the structurally stable caustics are not affected by adding extra state variables R ; depending on the caustic type, only one component x, or two components x, y, of R, determine the caustic, and any other components can always be transformed so as to enter the phase 1949), by an amount ~x=

x

Therefore

(13)

increases monotonically (Titchmarsh

d,g/11

§ dx= § d(Im ln g")= § - , =2m7r, :£'

Combined

:Eg

:£'

(14)

where m is the number of zeros of g" inside .2, non-simple zeros bejng counted according to their multiplicity. Next we require the angle tjJ made with the x-axis by the direction of the vanishing curvature. From (2), the curvature C.;r of the line in W with direction tjJ is easily found to be

c¥ = lg"l

cos (2!f + x)

(n-l)p 2ny

(15)

The two principal directions are the values of tjJ for which this expression is extremal, and the direction of vanishing curvature (for which (12) holds) is X tfi= --.

(16)

2

The difference between this angle and the angle is

4>-t/J=c/>+-2X

4> made by

if> with the x-axis (17)

and cusps occur whenever 4>- tjJ passes through a multiple of Tr. Now, in one circuit of .2, 4> changes by 2Tr and x/2 by mTT. Therefore if 4> + x/2 is monotonic round if> there are m + 2 cusps. If 4> + x/2 were not monotonic, a rotation of coordinates in R would change 4> but not x and hence the number of times 4> + x/2 passed through a multiple of 7T would be altered. But the number of cusps is invariant under rotation of coordinates, and so, by contradiction, 4> + x/2 must be monotonic. Finally, we observe that m must exceed zero for non-trivial cases, since any analytic function g"(') with no zeros inside if> must be a constant and this corresponds to droplets which are caps of ellipsoids (cf. eqn. (2)) which give no far-field caustics. Therefore we have shown that the caustic of the droplet defined by g(O has two more cusps than g"(') has zeros in .2. Thus the smallest possible number of cusps is three. It is possible to prove that

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M. V. Berry

14

the caustics from these surface tension dominated droplets must always be concave outwards (fig. 6) ; occasionally apparent exceptions to this are observed in the form of caustics with points of inflexion, but the corresponding drops are always larger and visibly affected by gravity so that the theory based on eqn. (1) does not apply. A family of model droplets illustrating these properties is that generated by (18)

where n = 3, 4, 5 ... , !£' is a circle, and the caustic is a hypocycloid of n cusps (Lawrence 1972). By comparing an observed caustic with n cusps with one of these ' standard caustics ', it might be possible to estimate the variation of the contact angle around the droplet perimeter, and hence obtain information about inhomogeneity of wetting (Dr. E. Zichy of I.C.I. is investigating this). The droplets f(R) corresponding to (18) have fluted maxima. Their caustics should form the basis of a new class of ' hyperelliptic ' catastrophes (the elliptic umbilic corresponds to n = 3). An interesting possibility not covered by eqn. (18) occurs when the m zeros of g" are isolated instead of coincident. Then, if g" is a polynomial function of ,, !£' will enclose all the zeros for sufficiently large p (eqn. (12)) and there will be m + 2 cusps on the caustic. For very small p, on the other hand, !£' consists of m disconnected small closed curves, one round each zero, and there will be m closed caustics each with three cusps. Therefore there must in general be m- 1 intermediate values of p at which !£' separates and two new cusps are born. The cusps appear in the manner shown in fig. 7, which is drawn for the droplet generated by (19) this can have a maximum at R = 0 that splits into two as p diminishes through 2ny/n-l. We can regard p as a control parameter additional to Qx and QY. However, the birth of two cusps in this fashion is not a higher catastrophe, since, as fig. 8 shows, p = 2ny/n -1 is simply a particular section touching a cusp edge that forms a smooth curve. Fig. 7

caustics

Birth of two cusps for droplet generated by (19) asp passes through 2ny/n-l.

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Fig. 8 Sl.y

Caustic in Q, p control space from droplet generated by (19). For a given f(R) defining a wavefront W, the control parameter space Q is two-dimensional. However, as the last example showed, we can think of f(R) as embedded in a family of functions generated by one or more parameters e (e.g. pressure in a droplet). In this higher-dimensional control space the catastrophes are not restricted to folds and cusps, and changing e may produce caustics in Q which are singular two-dimensional sections of umbilics, swallow-tails and higher catastrophes. Often there is no possibility of varying e; then, however, it may be the case that in 'function space' f(R) is 'close to' a higher catastrophe, whose slightly unfolded section will be recognizable in Q. For hyperbolic and elliptic umbilics, the table and eqn. (7) show that it is natural to take Q 1 = Qx and £2 2 = QY, so that Q 3 is the fixed parameter in f(R). Such sections with Q 3 fixed (figs. 3 (d) and 3 (e)) are often seen in caustics from irregular glass; fig. 5 is an example showing both umbilics. For water droplet caustics the elliptic umbilic is generated by eqn. (18) with n = 3; hyperbolic umbilics cannot occur because the outer branch would have to be convex outwards thus violating the theorem that the droplet caustics must always be concave outwards. Swallow-tails are less common than umbilics in caustics generated by our simple model. The state space is one-dimensional and there is no natural identification of Dv Q 2 or Q 3 with Qx and QY ; in addition a partially unfolded swallow-tail would correspond to two close tangencies of 2? with the direction of vanishing curvature, a circumstance unlikely often to occur. The author has scanned several hundred undulations of irregular glass with a laser beam without seeing a single unmistakeable swallow-tail. Thorn (1975, fig. 4) gives a rather unconvincing example. However, it is possible to produce swallowtails in the far field of droplet lenses whose perimeters are highly convoluted. Figures 6 (b) and 6 (d) show examples of this; the swallow-tails are marked

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M. V. Berry

on the tracings of the caustics on figs. 6 (c) and 6 (e). Figure 6 (e) also shows three ' specimens ' of sections through the four-dimensional ' butterfly ' catastrophe (Thorn 1975). (On fig. 6 (b) there appears the faint image of a second caustic superimposed on the principal one ; it arises from a second droplet dimly illuminated by the periphery of the laser beam.) This sort of search for catastrophes resembles not so much physics as specimen-collecting in botany. Individual specimens of a species of plant can vary enormously in size but share topological features (in animal species, by contrast, individuals are more nearly congruent); similarly, individual water droplet lenses vary enormously, and until the droplet hits the dusty glass surface one never knows exactly what its caustic will look like, only that some kind of catastrophe (species) will be involved. Liesegang ( 1953) shows beautiful swallowtails formed in the beam of an electron microscope. By deliberately considering wavefronts W whose form /(R) is non-generic it is possible to produce a structurally unstable caustic. If this can be identified as the singular section of a higher catastrophe then the topology of the caustic that would be produced by a generic perturbation of W can be deduced simply by inspecting the unfolding of the catastrophe. Thus can Thorn's theorem be used predictively. For example, consider the non-generic case where /(R) is separable, that is (20) f(R)=g(a. R)+h(b. R), where a and b are arbitrary non-parallel unit vectors on R. It is not hard to show from the ray condition (4) and the caustic condition K =0 that the caustics in Q are straight lines parallel to a and b, meeting in corners but not crossing. In particular, if g and h are periodic functions whose topology is that of a sinusoid (i.e. two inflexions per period), then the caustic will be a parallelogram. The author tested this by sending a laser beam through two panes of glass on each of which a one-dimensional pattern of ridges had been impressed when the glass was softened by heating. The two panes were placed with the ridged faces together and the two sets of ridges not parallel. Figure 9 shows the result. Each non-generic corner is identified by inspection of fig. 3 as the section D 3 = 0 of a hyperbolic umbilic, and this is confirmed by expanding /(R) near the points on W that generate the corners, whereupon the functional form given in the table is obtained. If now we imagine f(R) (given by (20) with periodic f and g) perturbed by adding a non-separable term E/1(R), then each corner will. unfold according to fig. 3 (e) so that the caustic will now be a distorted four-cusped astroid surrounded by a smooth convex closed curve. This prediction was first made during a study of the reflection of atomic beams from crystal surfaces; for a full description of this problem, and a photograph of an optical analogue confirming the prediction, see Berry (1975). Another application of catastrophe theory explains a curious feature of the near-field caustic lines painted by the sun on the sand beneath the sea (Minnaert 1954, p. 33) : they frequently meet in triple junctions. These are non-generic and moreover do not correspond to sections of any three-dimensional catastrophe (fig. 3). This suggests that the triple junctions are really much more complicated generic structures imperfectly resolved or blurred by the to divergence caused by the finite

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Fig. 9

Far-field caustic from two superposed panes of ridged glass, showing singular sections of four hyperbolic umbilics. disc of the sun. 1976).

And, indeed, experiment confirms this (see Berry and Nye

§ 5. CAUSTICS AND WAVE FUNCTIONS Near caustics the wave intensity shows dramatic diffraction effects. These are obvious on figs. 5, 6 and 9. In this section we give an analytical description of these phenomena, based on the generalization of the diffraction integral (10), namely if;(Q.)= (

k 277

)rn/2 JJ drnR exp [ik(R, Q.)]a(R, Q.),

(21)

where a is a slowly varying function of its arguments (see Duistermaat 1974), and m is the dimensionality of the state space R. A.P.

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B

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For short wavelengths k is large so that the exponential oscillates rapidly with R and the principal contributions come from those points where the phase k( r, w)].

(24)

The function 4> is chosen to be simpler in form than (R, Q) (eqn. (7)), when written in simple standard form obtained by expansion about R 0 , is ([>(R, Q) = -

(R

-

R0 ) 2

2a

+ QR cos

B

(35)

where B is the polar angle in R, measured with respect to the direction of Q. This function has different symmetry from the elliptic umbilic (table), and cannot be transformed into it. Second, the comparison integral (2.4) for this case is, for large k and small Q, (36)

where J 0 is the zero-order Bessel function of the first kind. Therefore the singularity index, defined by eqn. (25) and found by setting Q = 0, is a= i, so that the glory is a stronger singularity than the elliptic umbilic or indeed any other elementary catastrophe. The focusing into Q = 0 arises from the circular symmetry of W. If this is broken by perturbations f 1 (R, e) with parameters e of the profile f(R), then the point caustic should break up into closed cusped figures, the number of cusps depending on the topology of f1 . But there is an infinity of topologically different ways in which the (continuous group) symmetry of a circle can be broken, so that to find all the structurally stable caustics ' near ' the glory requires infinitely many parameters Ev E 2 ••.. We conjecture that such

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a generic unfolding- of the function (35) is obtained by a series of circular harmonic perturbations, namely 00

f1 (R,e:)= L n=Z

(37)

En_ 1 Rncos(n8+cxn),

involving a countable infinity of parameters. Our second caustic of infinite co-dimension is the forward diffraction peak from localized objects such as a wavefront deformation f(R) vanishing smoothly as R--Ht). This caustic is also the isolated point Q = 0, produced by the flat ' region at infinity ' for which Vf = 0. K vanishes over an area rather than on a line, so the forward peak is an even stronger structurally unstable caustic than the glory. To evaluate the singularity index a for this case it is first necessary to make the diffraction integral ( 10) converge by subtracting the forward delta function that would occur if W were flat (f = 0). The resulting differential scattering cross section is obtained from (10) by replacing exp (ik) by exp (ik)-- l. A detailed analysis (Berry 1969 a) then shows that a depends on the manner in which f(R) goes to zero at infinity. For example, in the case of potential scattering (eqn. (3)) when V(r) has the Vander Waals' tail, --r-6 , we found a= 1·4. This is powerful focusing indeed, and the forward peak is the strongest directional caustic yet discovered. As we might expect, the unfolding of the forward peak is more complicated than that of the glory. The 'symmetry' to be broken is the asymptotic vanishing of f(R), so that a typical symmetry-breaking perturbation Ef1(R) must have maxima, minima and saddles right out to R = oo. Each undulation gives a caustic (perhaps resembling fig. 5 or 6) and in Q space these will all be superposed. As E-->0 this mass of caustics shrinks down to Q = 0 giving the forward peak. To examine this process in detail, let the forward peak be produced by a cylindrically symmetrical function f 0 (R) of Gaussian form, and let the perturbation Ef1(R) be a periodic undulation with square unit cells containing a minimum at the centre and maxima at each corner, and consider (38)

as

diminishes from I to 0. The progression is shown on fig. 10. When f 1 acts, and the caustic (fig. 10 (a)) is an astroid with surrounding smooth curve (Berry 1975). Slightly diminishing E introduces f0 (R) which E

E=l only

Fig. 10

€=1

~rainbow~O

(a)

(@) ~ (!) -~,.~~ (b)

(c)

(d)

forward PIZOk

Emergence of the forward peak and rainbow singularities as a periodic perturbation is switched off (eqn. (38)).

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slightly perturbs the unit cells near R = 0 so that the caustic splits into an infinite concentric sequence (fig. 10 (b)) with 'limit lines' from the unit cells at infinity. When E is further decreased the diminishing slopes of f1 (R) cause this caustic cluster (fig. 10 (c)) to shrink in Q, while the growth of f 0 (R) exposes its inflexion line as a growing 'rainbow' smooth caustic surrounding all the others. Finally, as E->0 the caustic cluster from f1 (R) collapses (fig. 10 (d)) onto the forward peak (fig. 10 (e)) at Sl=O, leaving the rainbow circle at some finite IQ I· Of course there are infinitely many ways apart from this in which ' superposition and collapse ' can occur, so that the infinite codimensionality of the forward peak is probably uncountable. (Perhaps this is one of the 'lump' catastrophes discussed by Thorn (1975, pp. 103-4).) The third class of caustics with infinite co-dimension are those occurring at point sources. Of course the radiation fields are singular at source points, but we are primarily interested in the pattern of emerging trajectories. Obviously a vibrating source at rest relative to the propagation medium (or to the observer in the case of light) is an isolated point caustic (a 'focus'). No perturbation of the medium will break this even though it is structurally unstable. Motion of the source can produce fold caustics emanating from it (e.g. Cerenkov radiation, or Kelvin's ship wave pattern-see Lamb 1945), but this situation is still non-generic because the folds meet at a finite angle and not, say, at a cusp. To understand the unfolding it is necessary to imagine the time-reversed situation where there is no source and the caustic point arises from the collapse of a wavefront with a high degree of symmetry (e.g. a circle in a homogeneous medium with source at rest). Then any of an infinite-parameter class of perturbations of this wavefront will break the caustic into a structurally stable form (e.g. a cusped line in two dimensions). In the real-time problem, however, the presence of the source is a strong constraint suppressing all such perturbations, and the unfolding cannot be realized.

§ 7. CoNCLUDING REMARKS Thorn's theorem has enabled us to make powerful general statements about the caustics that dominate wave fields when the wavelength is short. Firstly, it lists the canonical forms that caustics in generic systems may take. Secondly, it enables canonical diffraction functions to be derived that give accurate representations of the wave fields that clothe these caustics. And, thirdly, departures from genericity, caused by special conditions corresponding to particular values of a small number of parameters describing the system, give rise to caustics that are structurally unstable ; these are easily identified because they are not elementary catastrophes with co-dimension equal to the dimension of the space in which the caustics are observed, but special sections of higher catastrophes, whose unfoldings lead to predictions of the forms of the structurally stable caustics that would result if genericity were restored by removing the special conditions. We emphasize that structural stability of a caustic does not imply physical stability of the system generating the caustic, and vice versa. For example, a spherical raindrop is rendered physically stable by the force of surface tension, and yet it gives rise to the glory which is so structurally unstable as to require infinitely many unfolding parameters. Attempts are being made

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to develop extensions of Thorn's theorem to deal with such cases, by studying singularities which are structurally stable in a restricted sense, namely under perturbations of special types (e.g. those preserving spherical symmetry). Interesting as such studies undoubtedly are, they should not deflect too much effort from the more difficult task of discovering unfoldings that are structurally stable under all perturbations ; in the case of the glory, for example, generic perturbations are certainly possible, in the form of oscillations of raindrops away from sphericity. Next, we mention two aspects of short-wave theory to which Thorn's theory has not so far been applied. The first is the determination of the spectrum of normal modes of bound systems (e.g. energy levels in quantum mechanics) ; this problem is dominated by the topologies of closed trajectories (Balian and Bloch l974, Berry and Tabor 1976), and caustics play a relatively minor role, although they do affect the spectrum. The second arises when the pattern of trajectories is so complicated that the caustics are separated by less than a wavelength, on the average. This case is realized, for example, when waves are reflected by a surface that is rough on all scales (Berry 1972) or when trajectories are ergodic (Percival 1973). We conjecture that in such situations no short-wave limit exists. This is an important problem that should richly repay detailed study. It is possible that catastrophes penetrate even deeper into wave theory than this article suggests. On the finest scale, the most delicate features of waves are the singularities of their phase maps, christened ' wavefront dislocations' by Nye and Berry (1974). Now, the phase map for the cusp diffraction function, plotted by Pearcey (1946), shows a striking pattern of edge dislocation points. The three-dimensional catastrophe diffraction functions must have a pattern of dislocation lines with highly interesting topology. I conjecture that each generic caustic has an associated dislocation structure that is structurally stable. If this is correct, Thorn's theorem would also classify wavefront dislocations (the classification would be incomplete because there are simple ways of creating dislocations that are not associated with caustics). This subject is now being studied in collaboration with Mr. F. J. Wright. To conclude, let us compare the application of Thorn's theorem in wave theory, as considered in this article, with the application of the theorem in , statistical mechanics, to phase transitions of infinite systems. In both cases catastrophe theory gives an overall description : geometrical optics in the wave case,' mean field theory' (e.g. Vander Waals' equation) in the statistical case. Very close to the singularities, however, more refined methods must be employed, because of diffraction in the wave case (requiring the integration techniques of § 5) and fluctuations in the statistical case (requiring special techniques for calculating ' critical exponents'). ']'his point is well made by Schulman (1974). AcKNOWLEDGMENTS

I particularly wish to thank Professor John N ye for many long discussions about irregular droplet lenses. In addition, I thank Dr. Manfred Faubel for an experimental suggestion, Mr. George Keene for photography, Mr. Tony

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Osman for making the undulating glass plates, and Dr. Tim Poston for some helpful comments. REFERENCES ABRAMOWITZ, H., and STEGUN, I. A., 1964, Handbook of Mathematical Functions (Washington: U.S. National Bureau of Standards). AmY, G. B., 1838, Proc. Camb. phil. Soc. math. phys. Sci., 6, 379. ARNOL'D, V. I., 1973, Russ. math. Survs, 28, No.5, 19 (English translation). ]?ALlAN, R., and BLOCH, C., 1974, Ann. Phys., 85, 514. BERRY, M. V., 1966, Proc. phys. Soc., 89, 479; 1969 a, J. Phys. B, 2, 381; 1969 b, . Sci. Frog., Oxf., 57, 43 ; 1972, J. Phys. A, 5, 272 ; 1975, Ibid., 8, 566. BERRY, M. V., and MouNT, K. E., 1972, Rep. Frog. Phys., 35, 315. BERRY, M. V., and NYE, J. F., 1976 (to be published). BERRY, M. V., and TABOR, M., 1976 Proc. R. Soc. (in the press). BROCKER, TH., 1975, Differential Germs and Catastrophes (Cambridge University Press). BucK, U., 1971, J. chem. Phys., 54, 1923 ; 1974, Rev. mod. Phys., 46, 369. CAMPBELL, L., and GARNETT, W., 1882, The Life of James Clerk Maxwell (London: Macmillan), pp. 434-44. CHESTER, C., FRIEDMAN, B., and URSELL, F., 1957, Proc. Camb. phil. Soc. math. phys. Sci., 53, 599. CONNOR, J. N. L., 1973, Malec. Phys., 26, 1217; 1974, Ibid., 27, 853; 1976, Ibid., 31, 33. DESCARTES, R., 1637, Discours de La Methode (Appendix). DINGLE, R. B., 1973, Asymptotic Expansions: Their Derivation and Interpretation (London: Academic Press). DUISTERMAAT, J. J., 1974, Communs pure appl. Maths., 27, 207. EISENHART, L. P., 1960, A Treastise on the Differential Geometry of Curves and Surfaces (Dover), p. 180. FELLIN!, F., 1963, 8t (Film distributed by Cineriz, Italy). FoRD, K. W., and WHEELER, J. A., 1959, Ann. Phys., 7, 259, 287. GLAUBER, R. J., 1958, Lectures in Theoretical Physics, Vol. 1, edited by W. E. Brittin and L. G. Dunham (New York: lnterscience), p. 315. GOLDSTEIN, H., 1951, Classical Mechanics (Addison-Wesley). JA.NICH, K., 1974, Math. Annln, 209, 161. KRAVTSOV, Yu. A., 1968, Soviet Phy8. Acoust., 14, 1 (English translation). KELLER, J. B., and LEVY, B. R., 1963, Proc. Conf. Electromagn. Scattering, 1962, edited by M. Kerker (Oxford: Pergamon), p. 3. LAMB, H., 1945, Hydrodynamics (Cambridge University Press), p. 438. LARMOR, J., 1891, Proc. Camb. phil. Soc. math. phys. Sci., 7, 131. LAWRENCE, J. DENNIS, 1972, A Catalog of Special Plane Curves (New York : Dover). LIESEGANG, S., 1953, Optik, 10, 5. LUDWIG, D., 1966, Communs pure appl. Math., 19, 215; 1967, Ibid., 20, 103. MASLOV, v. P., 1972, Theorie des Perturbations et Methodes Asymptotiques (Paris : Dunod). (Original Russian publication, 1965.) MINNAERT, M., 1954, The Nature of Light and Colour in the Open Air (Dover). MouNT, K. E., 1973, J. Phys. B, 6, 1397. MuLLEN, J. M., and THOMAS, B. S., 1973, J. chem. Phys., 58, 5216. NussENZVEIG, H. M., 1969, J. Math. Phys., 10, 82. NYE, J. F., and BERRY, M. V., 1974, Proc. R. Soc. A, 336, 365. PEARCEY, T., 1946, Phil. Mag., 37, 311. PERCIVAL, I. C., 1973, J. Phys. B, 6, L229. ScHULMAN, L., 1975, Functional Integration and its Applications, edited by A. M. Arthurs (Oxford : Clarendon Press), p. 144. STAVROUDIS, 0. N., 1972, The Optics of Rays, Wavefronts and Caustics (New York: Academic Press), p. 79.

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SYNGE, J. L., 1954, Geometrical Mechanics and de Broglie Waves; 1960, Encyclopedia of Physics, edited by S. Fliigge (Berlin: Springer-Verlag), 311, l. THOM, R., 1975, Structural Stability and Morphogenesis (Reading, Mass. : Benjamin). TITCHMARSH, E. C., 1949, The Theory of Functions (Oxford University Press), p. 122. VAN DE HuLST, H. C., 1957, Light Scattering by Small Particles (New York: John Wiley). WASSERMANN, G., 1974, Stability of Unfoldings, Vol. 393 (Springer Mathematical Notes).

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[2.3]  173 CHRISTMAS BOOKS

Michael Berry

Slippery as an eel The Fire Within the Eye: A Historical Essay on the Nature and Meaning of Light Dav1dPark

1997 Princeton University Press 378pp £25.00hb

With passion and poetry, David Park sets out to get behind the optical science we are familiar with as physicists. He tells us how attempts to understand light have been at the heart of people's efforts to make sense of the world ever since they began to reflect on it (note how the natural choice of metaphor reflects this). It is a fascinating story, beginning with the "immense fact [that] we can sec", and ending... well, it has not ended yet, PlHSlCS WORLD

DEtlMaEW 1997

as we will "sec". Early theories are discussed in detail. Empedocles' "visual ray" is "like a long finger projecting from the eye, and sight is a kind of touch". It was believed that the ray can occasionally be seen, for example in the gleam of an animal's eye from the darkness near a campfire, and that it can have powerful effects, as in the "evil eye". Then there was the "eidolon", conceived by Leucippus: " ... under the influence of light the surface of any visible object continually produces thin veils of matter, perhaps only one atom thick, which peel ofT and retain their shape as they fly with immense speed in every direction".

These notions persisted for centuries, and much ingenuity was expended in overcoming the problems they raised, such as "How docs the eidolon get into the little hole in my eye?". We learn how Euclid was the first to try "to catch Nature in the web of mathematically exact reasoning" with his studies of the optics of mirrors based on the laws of specular reflection. tvluch later, Islamic scientists pursued the mathematical study of light, in constructing the beginnings of optics as we recognize it today. Apparently, Ibn Sahl in 984 knew the law of refi·action, soon forgotten and rediscovered half a millennium later

41

‘Slippery as an eel’ by Berry, M. V., Review of ‘The Fire Within the Eye’ by David Park, 1997, Physics World 10 (December), 41-42. © IOP Publishing. Reproduced with permission. All rights reserved.

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174   A Half-Century of Physical Asymptotics and other Diversions CHRISTMAS BOOKS by Han·iot, Snel and Descartes. At about the same time, the Egyptian scientist Alhazcn began to understand how the eye works, and (following Ptolemy) appreciated that proposed explanations can be tested by experiment. Inevitably, many pages arc devoted to Newton, and here I read two sentences that knocked me flat. As everyone knows, Newton imagined light as a stream of particles travelling along rays, but pondered intensely on effects that seemed discordant with this picture and were convincingly explained much later in terms of light waves. One of these was Grimaldi's observation in 1665 of the fringes in light diffracted from an edge. In one of the famous "queries" in his Opticks, Newton asked: 'fuc not the rays of Light in passing by the edges and sides of Bodies, bent several times backwards and forwards, with a motion like that of an Eel? And do not the three Fringes of colour'd Light abovc-mention'd arise from three such bcndings?" Park thinks that "science still awaits a mathematical theory of the eel". He is wrong, and in an interesting way. One way of writing wave equations, discovered in the context of quantum mechanics by Madelung and emphasized by Bohm and his followers, is in terms of the local current vector rather than the function describing the wavcfield. The lines of current can be regarded as analogous to the rays of geometrical optics, but survive into wave optics. vVhcrc propagating waves interfere, these rays indeed wriggle like an eel, as the result of non-Newtonian forces acting from edges etc. Although (perhaps for reasons of historical contingency) this is not the interpretation of wave physics that most of us use, all wave phenomena can be regarded as the

42

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effect of these generalized rays. I was disappointed by two omissions. There is no explicit So, Newton was right after all! mention of the development of Any study of light must include colour, and Park gives an excellent caustics, that is generalized focal account of the familiar story curves and surfaces. Interference leading from Newton's prism ncar caustics produces the largest tl1rough Fraunhofer's spectroand brightest wave effects; their scopy to the quantum mechanics most dramatic manifestations arc of today. I was, however, astonsupernumerary rainbows. There is no evidence that Newton ished by Euler's "clairvoyant noticed these; if he had, the insight" that coloured light oridevelopment of physics might ginates in internal vibrations of have been very different. But atoms in the emitting body. Seeing Young knew about them, and colours is vc1y different, of course. pointed out that here was a natEyes arc not spectroscopes, but ural phenomenon that Newton's respond to the excitation of three theory (without the eels) was colour receptors - that is, colour unable to explain, but his could. space is three- (rather than infinAnd I would have liked to have ite-) dimensional. Young's pioneering understanding of this fact Rainbow skittles _the read something about Hamis well described, as is Goethe's interference of three ilton's theory of conical rcfracimpassioned dissidence fi·om this wavesofwhitelight tion, which, as well as getting developing consensus. Although right to the heart of light's transGoethe's unscientific modes of expression vcrsality, also laid the groundwork for the made his view unpopular, modern studies- mathematical unification of particle and particularly by Edwin Land- have rehabil- wave motion that was so important in the itated his emphasis on the importance of the construction of quantum mechanics. That is where we arc now. Light is waves. surroundings. This can be restated in a way that resonates with our contemporary think- Light is particles. Interactions arc noning: while Newton, Young and Maxwell pi- local. Is this the end? Park thinks not. As he oneered the local theory of colour, Goethe says: "Some scientific questions arc interesting and some uninteresting, where the pioneered the non-local theory. Relativity is introduced in terms of the words arc defined as follows. After an uninrise and demise of the ether, as the medium teresting question has been settled, it is setin which light was supposed to wave. Here is tled. After an interesting question has been Park on tl1e Michelson-Morley experiment. settled, it keeps popping up again. The "It is a rare thing when the Lord bends question of non-locality, in the opinion of down and speaks to his children, but on this many physicists, is interesting." I could not occasion he did. Clothing his word in the agree more. language of Nature, he told those two men that they had blown the ether away; but they Michael Beny is a professor of physics in the Department of Physics, Bristol University, UK didn't hear him."

PHYSICS WORLD

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Michael Berry

REVIEWS

Deconstructing rainbows A single ray of light has a pathetic repertoire, limited to bending and bouncing (into water, glass or air, and from mirrors). But when rays are put together into a family – sunlight, for example – the possibilities get dramatically richer. This is because a family of rays has the holistic property, not inherent in any individual ray, that it can be focused so as to concentrate on caustic lines and surfaces. Caustics are the brightest places in an optical field. They are the singularities of geometrical optics. The most familiar caustic is the rainbow, a grossly distorted image of the Sun in the form of a giant arc in the skyspace of directions, formed by the angular focusing of sunlight that has been twice refracted and once reflected in raindrops. This explanation of the rainbow, given by Descartes in 1637, was both a pioneering exercise of computational theoretical physics and the culmination of several millennia of what Raymond Lee and Alastair Fraser call “the slow and convoluted evolution of physical reasoning about the rainbow”. We learn, for example, how Aristotle – in about 350 BC – understood the rainbow as redirected sunlight, but misunderstood the redirection as mirror reflection from clouds. We learn how Qutb al-Din in Persia and Theodoric in Freiberg, in about 1300, understood the importance of reflection and refraction within individual raindrops but were unable to explain why the light is concentrated near the rainbow angle. Equally “slow and convoluted” was our understanding of a rainbow’s colours, which culminated (at least at the level of ray optics) with Newton’s incorporation of the spectral dispersion of water into Descartes’ theory. An original feature of the book is the detailed quantification of the colours of several natural rainbows, depicted as curves in the diagram of chromaticity co-ordinates representing hue and saturation. This exercise has the unexpected and startling result that the range of rainbow colours is tiny – less than 5% of the gamut of colours on a TV screen. Yet this miserable smudge of wan and unsaturated colour “sticks in the popular imagination as a paragon of color variety”. Moreover, although “popular imagination” PHYSICS WORLD

NOVEMBER 2002

R BISHOP

The Rainbow Bridge: Rainbows in Art, Myth and Science Raymond L Lee and Alastair B Fraser 2001 The Pennsylvania State University Press and SPIE Press 393pp $65.00hb

Seeing the light – the supernumerary rainbow, as seen here above Newton’s birthplace just inside the main arc, helped usher in the wave theory of light.

also envisages the rainbow’s colours as a pure prismatic sequence, Newton’s theory predicts a more complicated pattern, incorporating light far from the caustic and smoothed over the finite angular size of the Sun’s disc. The Descartes–Newton picture explains much, but fails at a fundamental level by ignoring the wave nature of light. Often the interference fringes in rainbows are obscured by decoherence, but they can sometimes be seen as one or more “supernumerary bows” – a “faintly reproving name, one that has persisted long after we know that they are an integral part of the rainbow, not a vexing corruption of it”.

this, in particular how the “Airy integral” has proved seminal throughout wave physics – for example in nuclear, atomic and molecular rainbows in quantum scattering involving spherically symmetric interaction potential fields of massive particles. The simple Airy theory gives the canonical description of waves very close to a caustic but incorrectly predicts the positions for the supernumeraries far from the rainbow angle; however, in a development not described here, mathematics from the 1950s enables the Airy integral to be adapted to apply everywhere. Even Airy’s theory is not the last word, because it neglects polarization effects, which require a full vector-wave analysis based on Maxwell’s electromagnetic equations. This was provided by Gustav Mie’s exact calculation in 1908 of the scattering of light by a homogeneous refracting sphere. Extensive developments by Moyses Nussenzveig in the 1960s uncovered the Airy integral concealed in the intricacies of Mie’s mathematics. However, as the authors wisely point out, the deeper theories do not necessarily give superior explanations of the natural rainbow. The reason is that their distinctive predictions (for example of the delicate interferences “marbling” the bow) are obscured in practice by the width of the Sun’s disc and by the range of different sizes of raindrops in a shower. As the book’s title implies, the authors’ am-

“Deeper theories may not give superior explanations.” Lee and Fraser explain in detail how, through Thomas Young’s 1803 analysis in terms of interference, “the supernumerary rainbows proved to be the midwife that delivered the wave theory of light to its place of dominance in the nineteenth century”. Sadly, the authors do not include the celebrated photograph by Roy Bishop that shows a rainbow over the house in Woolsthorpe where Isaac Newton was born (see above). The magnificent irony is that this rainbow shows a clear supernumerary, magnifying the inadequacy of Newton’s theory for all to see, and showing how its ray optics must be replaced by the completely different concepts of wave physics. Young’s interference theory was itself an approximation. The full diffraction theory of light near a rainbow caustic was developed more than 30 years later by George Airy. I would have liked to see more discussion of physicsweb.org

bitions extend well beyond the physics of rainbows. They are aware of at least 150 myths and contradictory religious invocations in which the rainbow is sometimes benign, sometimes ominous. They catalogue the struggles of artists over the centuries to depict the rainbow realistically, often painting the arch in oblique perspective because it was misconceived as an object rather than an image, and – in what seem simple failures of observation – with the elusive colours of this “chameleon of the air” in reverse order. Lee and Fraser are masters of prose, and their book is sumptuously produced and abundantly illustrated. They are to be congratulated for producing not only a definitive rainbow scholarship but also a gorgeous work of cultural synthesis. Michael Berry is Royal Society research professor at the H H Wills Physics Laboratory, Bristol University, UK

49

‘Deconstructing rainbows’ by Berry, M. V., Review of ‘The Rainbow Bridge: Rainbows in Art, Myth and Science’ by Raymond L Lee and Alastair B Fraser, 2002, Physics World 15 (No 11), 49. © IOP Publishing. Reproduced with permission. All rights reserved.

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millennium essay

Making waves in physics Three wave singularities from them iraculous 1830s. Michael Berry

S

gularities are places where mathematal quantities become infinite, or ange abruptly. In waves - of light, for example - there can be singularities in the intensity, in the phase, or in the polarization. This is a modern view, sharply different from the traditional approach where waves were simply the solutions of wave equations, and singularities - if considered at all were regarded as awkward places where the usual treatments fail. And yet the foundations of wave singularities were laid in three astonishing papers published as early as the 1830s, a decade whose intellectual significance we are only now beginning to appreciate. Reversing historical order, we start in 1838, with a paper by George Biddell Airy. The immediate stimulus was the theory of the rainbow. Two centuriesearlier,Descartes had understood the bright bow as Sun rays directionally focused byraindrops. This geometrical theory gives a good first approximation but fails to account for the delicate supernumerary bows sometimes seen just inside the main arc. In 1801 Thomas Young realized that by regarding light as waves it is possible to understand supernumaries as interference fringes, but could not give a precise mathematical description . Airy's contributions were: to appreciate that the rainbow is a particular example of a caustic, that is, a line where light rays are focused (the bright lines on the bottom of swimming pools are also caustics); to see that caustics are singularities, where ray optics predicts infinite brightness; to realize that wave physics will soften the singularities; and to discover the precise mathematical description of this softening,in the form ofhisrainbowintegral (pictured above) . Airy's paper was doubly influential. First, because refined techniques soon devised by George Gabriel Stokes to study the rainbow integral established divergent infinite series as an important tool in bridging gaps between physicaltheories(in thiscaserayand wave optics) and uncovered a mathematical phenomenon whose ramifications are still being explored . Second, because the rainbow integral, describing wave interference decorating the simplest kind of caustic, was found to be the first in a hierarchy of'diffraction catastrophes'. These more elaborate wave singularities are now classified using catastrophe theory - mathematics whose application greatly advances the physics of caustics. Next are two papers from 1833 and 1836 by the polymath William Whewell (to whom NPJ1JRE IVOL403 I6JANUARY2000 Iwww.nature.com

Airy's rainbow integral.

,t.l .. 0

Whewell 's amphidromy between England and Holland.

we owe the word 'physicist', with its "four sibilant consonants that fizz like a squib") . He was studying the tides in the oceans, and seeking to "connect the actual tides of all the different partsoftheworld- and to account for their varieties and seeming anomalies". From )bung he learned to concentrate on the cotidallinesconnectingplaces where the tide is high at a given time. Cotidallines are wavefronts of the tide, regarded as a wave of twelve- hour period; they are contours of the phase of this wave. Whewell appreciated that a map of cotidallines would render intelligible the pattern of tides around the coasts, and coordinated hundreds of new observations, in an early international scientific collaboration. Extrapolating away from the coasts into the 'German Ocean' he reached the extraordinary conclusion that there must be "rotatory systemsoftide-waves [where] thecotidallines ... revolve around [a point] where there is no tide, for it is clear that at a point where all the cotidallines meet, it is high-water equally at all times". One ofWhewell's 'amphidromies' can be seen above. What Whewell discovered were the phase singularities of the tide waves. ~ © 2000 Macmillan Magazines Ltd

several square centimetres of overhead-projector transparency foil viewed obliquely through crossed polarizers; in each bullseye, the interference rings are contours of difference of wave speeds, centred on an optic axis, and the black stripes reflect geometric phases.

Phase singularities are now recognized as important features of all waves; in three dimensions they are lines rather than points. At a phase singularity, the wave intensity is zero - in contrast to caustics where the in tensity is (geometrically) infinite. In acou sties, the singularities are threads of silence; in light, they are optical vortices; in superfluids, quantized vortices; and in superconductors, quantized lines of magnetic flux. In addition to intensity and phase, waves of light exhibit polarization: they are vector waves. Polarization has its singularities too, discovered by our third author, William Rowan Hamilton, in 1832, as an unexpected consequence of Augustin Fresnel's theory of the optics of crystals. In a general anisotropic material, two waves propagate in each direction, with different speeds and polarizations. There are, however, two singular directions, optic axes, where the speeds are the same. As functions of direction, the two speeds can be represented by surfaces forming a diabolo (double cone) at each optic axis. Hamilton deduced that at such 'diabolical points' the wave direction corresponds to a cone of rays. This unprecedented 'conical refraction' was soon observed, confirming that light is a transverse wave. Diabolical points can easily be seen directly (pictured above). Hamilton's diabolical point was the first physical example of degeneracy between eigenvalues of a real symmetric matrix. Its descendants thrive in many areas of science today, for example, as conical intersections between energy levels in quantum chemistry, as Bloch wave degeneracies in the quantum Hall effect, and as the simplest geometric phases. • Michael Berry is in the Department of Physics, University ofBristol, Bristol BS81TL,UK. 21

Reprinted from Nature, Volume 403, (2000).

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[2.6]  177 Eur. J. Phys. 20 (1999) 1–14. Printed in the UK

PII: S0143-0807(99)95676-3

Black plastic sandwiches demonstrating biaxial optical anisotropy Michael Berry†, Rajendra Bhandari‡ and Susanne Klein†

† H H Wills Physics Laboratory, Univeristy of Bristol, Tyndall Avenue, Bristol BS8 1TL, UK ‡ Raman Research Institute, Bangalore 560 080, India Received 7 July 1998

Abstract. Transparent overhead-projector foil is an anisotropic material with three different principal refractive indices. Its properties can be demonstrated very simply by sandwiching the foil between crossed polarizers and looking through it at any diffusely lit surface (e.g., the sky). Coloured interference fringes are seen, organized by a pattern of rings centred on two ‘bullseyes’ in the directions of the two optic axes. The fringes are difference contours of the two refractive indices corresponding to propagation in each direction, and the bullseyes are degeneracies where the refractive-index surfaces intersect conically. Each bullseye is crossed by a black ‘fermion brush’ reflecting the sign change (geometric phase) of each polarization in a circuit of the optic axis. Simple observations lead to the determination of the three refractive indices, up to an ordering ambiguity.

1. Introduction

Hamilton’s discovery of conical refraction in 1830 (Born and Wolf 1959) was a milestone in the development of the classical picture of light as a transverse wave. The phenomenon was an unexpected consequence of Fresnel’s theoretical analysis of the propagation of polarized light in transparent anisotropic materials (in those days, the only such materials were crystals). According to Fresnel’s theory, in any given direction two waves can propagate through the material without change. The waves have different refractive indices and orthogonal linear polarizations (we will not consider chirality here). However, there are four special directions, specified by two optic axes (along which light can propagate either way), where the two refractive indices are the same and the polarizations arbitrary, so that the material behaves as if it is isotropic. Such general materials are called biaxial; in the special case where there is one symmetry direction, the two axes coincide, and the material is uniaxial. If the refractive indices are represented as two sheets in a polar plot (the wave surface), the optic axes are singular directions where the sheets are connected. Locally the connection is like that of a double cone (a diabolo). Hamilton pointed out that this singularity gives rise to several physical phenomena, which were soon observed and studied in detail, and later incorporated into the electromagnetic description of light. Although well understood for more than a century (Pockels 1906, Hartshorne and Stuart 1960, Bloss 1961), the phenomena are not widely known to physicists, and are regarded as obscure. This is a pity, because the connections of the cones are singularities of polarization 0143-0807/99/010001+14$19.50

© 1999 IOP Publishing Ltd

1

‘Black plastic sandwiches demonstrating biaxial optical anisotropy’ by Berry, M. V., Bhandari, R., & Klein, S., 1999, European Journal of Physics 20, 1-14. © IOP Publishing. Reproduced with permission. All rights reserved.

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M Berry et al

optics, and so are, in a sense, at the heart of the subject. One reason for the lack of emphasis on the conical effects might be that they are rarely seen; this in turn could be because their observation was thought to require plates of biaxial crystal. One of our purposes here is to describe an extremely simple demonstration (section 2), based on an observation made by one of us (RB), by means of which some of the physics of optic axes and the associated cones can be demonstrated and explored easily. Notwithstanding the venerable physics, there are several reasons why such a demonstration is timely, and the explanation of these is our other purpose. First, with light regarded as a stream of photons, polarization phenomena provide fine illustrations of the fundamental ideas of quantum state preparation, orthogonality, measurement, completeness and evolution; even at the classical level, it is helpful to employ a notation (section 4) reminiscent of quantum mechanics. Second, conical intersections are now being understood as organizing a wide range of quantum phenomena in solid-state physics (Simon 1983) and chemistry (Herzberg and Longuet-Higgins 1963, Teller 1937, Mead and Truhlar 1979), and it is good to recall the optical context in which they first appeared. Third, the demonstration gives immediate reality to some mathematical phenomena associated with matrices depending on parameters: degeneracies of eigenvalues, singularities in the pattern of eigenfunctions, and eigenfunction anholonomy (geometric phases). In our explanations, we will emphasize these phenomena, and give only the outline of the standard optical theory (Born and Wolf 1959, Landau et al 1984) of biaxial materials. 2. Experiment

The apparatus is a ‘sandwich’ (figure 1). Its ‘bread’ is two squares of polaroid sheet with their transmission directions perpendicular. Its ‘filling’ is a square of overhead-projector plastic transparency foil. For individual viewing, the squares can be 3 cm × 3 cm. For lecture demonstrations, the squares should be about 30 cm×30 cm, and the whole sandwich kept flat and rigid by a ‘wrapping’ of clear acrylic or glass panes. Without the filling, the sandwich is simply a pair of crossed polaroids, and transmits no light. But the inserted plastic foil is optically anisotropic—and biaxial because it has been stretched two ways during manufacture (Keller 1998). Therefore the filled sandwich is not black. The experiment consists in viewing it by transmitted diffuse light over a range of directions. An individual viewer can do this by holding the sandwich close to one eye and looking through it at a light-coloured wall, or the sky (figure 2(a)). Brilliantly coloured patterns are seen. They are called conoscopic figures (Hartshorne and Stuart 1960). Looking off to the side, it becomes clear that the colours are interference

transparent overhead-projector foil

polarizer 2

polarizer 1

L

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Figure 1. Structure of the black plastic sandwich.

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[2.6]  179 Black plastic sandwiches and optical anisotropy

3

a diffuse reflector

b screen sandwich

sandwich

sandwich

c

Figure 2. Observing the interference fringes. (a) Looking directly through the sandwich (the diffuse reflector can be the sky); (b) by projection from a small bright source; (c) to an audience, using an overhead projector.

fringes, organized about two sets of circles (‘bullseyes’) symmetrically disposed about the normal to the foil, separated by several tens of degrees (the precise angle depends on the type of foil). The bullseyes can be moved to the forward direction, where they can be seen more easily, by tilting the sandwich so that its normal points away from the forward direction (figure 2(a)). The complete pattern can be viewed by holding a small bright source of light close to the sandwich, and projecting the image onto white paper on the other side (figure 2(b)); the bulb from a Mini MagliteTM torch, with its lens removed, is an ideal source. (Alternatively, the complete pattern can be seen in the traditional way, with a polarizing microscope.) The individual bullseyes can be demonstrated to a large audience using the (slightly) divergent light of an overhead projector, by placing the (large) sandwich obliquely in the beam (figure 2(c)). The patterns can be recorded in several ways. For their global structure, it is convenient

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(a)

(b)

(c)

Figure 3. Conoscopic interference figures in monochromatic light. (a) Global structure, with the fringes centred on two ‘bullseyes’ crossed by black ‘fermion brushes’; (b) a single bullseye; (c) disconnection of brushes near bullseyes for polarizer orientation near 45◦ .

(A colour image of a single bullseye is included in the electronic version of this article as an additional figure 9 after the list of references on page 14; see http://www.iop.org)

to use an arrangement like that of figure 2(b), with the screen replaced by a camera attached to a microscope with a wide-aperture objective lens; the details of the pattern—for example, the individual bullseyes—can be seen by magnification. Alternatively, the individual bullseyes can be photographed simply by replacing the eye in figure 2(a) by a camera aimed at the sky. Figure 3(a) shows the pattern produced by monochromatic light, and figure 3(b) shows

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[2.6]  181 Black plastic sandwiches and optical anisotropy

5

a magnification of one of the bullseyes. The main features, in addition to the interference fringes, are broad black stripes passing through the bullseyes. For a reason to be explained later, we call these the fermion brushes. The inclination of the brushes, relative to the line joining the bullseyes, can be altered by rotating the foil relative to the crossed polaroids. For some foils, and certain ranges of orientation of the polarizers, the fermion brushes close to the bullseyes were disconnected (figure 3(c)). Superficially this resembles the effects of optical activity (Gibbs 1882, Goldhammer 1892, Pocklington 1901), in addition to the birefringence, which would break the degeneracy of the refractive indices at the optic axes. However, the details seem incompatible with this hypothesis, both in the sensitivity to polarizer orientation and the fact that the centre of the bullseye is always dark. J F Nye has suggested that the disconnection might be caused by variation of the orientation of the optic axes along the propagation path through the foil. This puzzling phenomenon (which we have not seen described in the literature) would repay investigation; we do not consider it further here. With plastic foils we did not succeed in seeing the original phenomenon of conical refraction, namely the transformation of a narrow initial beam into a hollow cone (Born and Wolf 1959). This is because the foil is too thin: a simple calculation shows that the broadening is much less than the width of the laser beam we used, and attempts to use a stack of many foils failed because of the gaps between them and the difficulty of aligning the optic axes of successive foils. 3. Geometry and notation

Let the normal to the sandwich-filling foil define the z direction, and consider light travelling within the foil in a direction specified by the unit vector s = {sx , sy , sz } (parallel to the wavevector), with polar angles θ, φ . The direction outside is obtained from s by a simple refraction correction, to be given later. It will be convenient also to denote directions by points on the plane R = {X, Y }, with polar coordinates R, φ, obtained from s by stereographic projection from the south pole of the s sphere (figure 4). The equations are  1  s= (1) 2X, 2Y, 1 − R 2 R = tan 21 θ. 2 1+R The two waves, + and −, with frequency ω and free-space wavenumber k = ω/c = 2π/λ, which travel in the s direction, will be written as functions of position r and time t in terms of their electric vectors D (transverse to s, unlike the electric field vector E ) as follows: D± (s, r , t) = d± (s) exp {ikn± (s)s · r − ωt}

(2)

where n± (s) and d± (s) are, respectively, the refractive indices and (orthogonal) polarizations of the waves. When we use the stereographic representation of directions, the same symbols

N P

θ

s R

Q' P' Q Figure 4. Stereographic projection of the wave direction

S

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from the sphere of unit vectors s to the plane R, illustrated for two points P and Q (images P  and Q ).

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182   A Half-Century of Physical Asymptotics and other Diversions M Berry et al

6

sz s

µ(s) θ

eθ d+(s)

φ

Y sy

sx (a)

d+(R) µ(R) R φ (b)

σ(R)

X

Figure 5. Directions of eigenpolarization d+ . (a) On the s sphere, making an angle µ(s) with the

unit vector eθ . (b) In the R plane, making an angle σ (R) with the X axis.

will be used, that is n± (R) and d± (R), with the understanding that d± (R) means the stereographically projected (and still orthogonal) polarizations. Where no confusion arises, we will drop the labels + and −. The polarization vector d+ (s) makes an angle µ(s) with the unit vector eθ on the s sphere (figure 5(a)), and its projection onto R makes an angle σ (R) = µ(R) + φ with the X axis (figure 5(b)), where µ(R) = µ(s) (because the projection preserves angles) (for d− , π/2 must be added to these angles). Thus d+ (s) = eθ cos µ + eφ sin µ

d+ (R) = eX cos σ + eY sin σ.

(3)

Since d and −d represent the same polarization, all physical quantities derived from d must be invariant under changes of µ and φ by π. The foil is an anisotropic transparent dielectric of thickness L, specified by its constitutive relation, which we write in the form D = ε0 n2 E

(4)

where n2 is the dimensionless dielectric tensor, written in terms of the three principal refractive indices as  2  nx 0 0   n2 =  0 n2y 0  . (5) 0

0

n2z

We choose the y axis such that ny is the intermediate-valued principal index; this will make the bullseyes lie on the X axis. Moreover, we make the asumption nx < nz , and will discuss this at the end of section 6. Thus (6)

nx < ny < nz . It will be convenient to define 1 1 α≡ 2 − 2 nx ny

β≡

1 1 − 2. 2 ny nz

(7)

Although we shall work with exact formulae, we note that in the foil α  1 and β  1. Finally, the polarizers will be specified by their orientations γ and γ + π/2 with respect to the X axis.

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4. Theory: intensity variation

The observed pattern is the intensity I (R, γ ) of the light when it emerges from the sandwich after travelling in the direction R, with the orientation of the polarizers specified by γ . When calculating I (R, γ ), it is convenient to use vectors V to represent the D vector of the light as it traverses the foil; we think of V as the column vector representing D , and denote by V T the corresponding row vector (transpose). V and V T are analogous to the ket and bra in quantum mechanics; thus the dot product U · V can alternatively be written U T V . The first polarizer projects V onto a state of linear polarization, represented by a vector P . In quantum mechanics, this step is the preparation of the state. As the light enters the anisotropic foil, we resolve its state P into components along the two eigenpolarizations d± (R). These are complete and orthonormal, i.e. d+ (R)dT+ (R) + d− (R)dT− (R) = I d± (R) · d± (R) = 1

d± (R) · d∓ (R) = 0.

The resolution is   P = d+ (R)dT+ (R) + d− (R)dT− (R) P = d+ (R) · P d+ (R) + d− (R) · P d− (R).

(8)

(9)

The polarizations + and − propagate independently through the foil, and acquire phases determined by their refractive indices n± (R). The graphs of these two functions, either as polar plots (that is, as radial distances for direction s), or perpendicular to the R plane, are the sheets of the refractive-index (wave) surface. Since the distance travelled in the foil is   L 1 + R2 L(s) = ≡ L(R) = L (10) cos θ 1 − R2 the polarizations become

d± (R) → d± (R) exp {ikn± (R)L(R)} ≡ d± (R) exp {iχ± (R)} .

(11)

In quantum mechanics, this step is the evolution of the state, governed by the Schr¨odinger equations (here Maxwell’s equations). Thus the state after propagation through the foil, and before entering the second polarizer, is V (R) = d+ (R) · P d+ (R) exp {iχ+ (R)} + d− (R) · P d− (R) exp {iχ− (R)} .

(12)

The second polarizer projects V onto a state represented by a vector P , perpendicular to the first polarizer P , i.e. P · P = 0.

(13)

In quantum mechanics, this step is the measurement of the state. The desired intensity is  2 (14) I (R, γ ) = P · V (R)

and a short calculation using (8) and (13) leads to   2  2  I (R, γ ) = 4 d+ (R) · P d+ (R) · P sin2 21 χ(R) where

  χ (R) ≡ χ+ (R) − χ− (R) = kL(R) n+ (R) − n− (R) .

(15) (16)

To calculate this intensity explicitly, it is convenient to imagine the foil as fixed, and the orientation of the polarizers as variable. Let the first polarizer have orientation γ : this means that it transmits light whose electric D vector is oriented at an angle γ to the X axis in the R plane. The second polarizer transmits light in the perpendicular direction, i.e. γ + π/2. Thus in equation (15) P = (cos γ , sin γ )

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P = (sin γ , − cos γ ).

(17)

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With the polarization d+ (R) as defined in (3), equation (15) gives      I (R, γ ) = sin2 2 γ − σ (R) sin2 21 χ(R) .

(18)

In equation (18), the second factor describes the fringes resulting from the interference of the two polarizations that emerge from the foil, when projected onto the common state P . From equation (16), these fringes are approximately contours of difference of the two refractive indices (the R dependence of L gives only a small correction). The thicker the foil, or the shorter the wavelength λ, the closer the fringes. Because of the λ dependence, the fringes are coloured (the λ dependence of the refractive indices, i.e. dispersion of the optic axes, is a much smaller effect). Close to the conical singularities of the two refractive-index sheets where n+ = n− , the contours are closed loops (actually circles); these are the bullseyes that reveal the singularities and dominate the images. The first factor in (18) vanishes along the lines where σ (R) = γ (mod π/2). These are the black brushes, called isogyres, which therefore reveal the polarization directions at R: as the crossed polarizers are rotated relative to the foil, the brushes sweep through all these directions. We shall see that in a circuit of the singularity (in R space) σ changes by π; this implies that for each γ the brush crosses the bullseye in a single smooth line. Note that equation (18) is unaltered if γ or σ is changed by π/2, reflecting invariance of the physics under exchange of the two polarizers P and P or the two polarizations d+ and d− . 5. Theory: fringes, isogyres and the fermion brush

With the electric vector D (2), and the constitutive equation (4), Maxwell’s equations reduce to d(s) + n2 (s)s × s × n−2 d(s) = 0

(19)

where d denotes d+ or d− . Although this represents three linear equations, transversality implies that the consistency condition (vanishing determinant of the operator in (19)) leads to two, not three refractive indices n(s) for each s (the third would be infinite, corresponding to electrostatic fields rather than waves). These two indices n± (s) are given by the eigenvalues of the part of the matrix n−2 transverse to s; the corresponding eigenvectors are the polarizations d± (s). A long calculation, using the first equation in (3) to represent d, and the definitions (5) and (7), leads to a formula in which the refractive index surfaces are conveniently expressed in terms of the positions of the four optic axes. In the R plane, these are at   1 β β Xc ≡ 1 + − Y =0 X = ±Xc , ± . (20) Xc α α On the s sphere, the axes are  α . (21) tan θc = φ = 0, π θ = θc , π − θc β The indices are  √  1 α 1 = 2 − G H ± 2 ny 2(1 + R 2 )2 n± (s)   1 β H ≡ (X2 − Xc2 ) X 2 − 2 − 4Y 2 Xc a      2 β β 2 2β 2 2 2 G ≡ 64X Y 1+ + H + Y 2(1 + X ) + 8 + Y . a a α

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(22)

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[2.6]  185 Black plastic sandwiches and optical anisotropy

9

sz ny

optic axis

nx

θc

sy ny

sx

nx

nz Figure 6. Refractive index surfaces in direction space,

showing the optic axis (degeneracy) where the surfaces intersect conically.

nz

This formula incorporates the following special cases, illustrated in figure 6 for an octant of the s sphere: X = Xc , Y = 0 (waves along optic axes):

X = Y = 0 (waves along ez ):

X = 1, Y = 0 (waves along ex ): X = 0, Y = 1 (waves along ey ):

n+ = n− = ny n+ = ny , n− = nx n+ = nz , n− = ny

(23)

n+ = nz , n− = nx .

Close to the optic axes, equation (22) can be simplified to display the form of the conical intersections explicitly. We find     n± (R) ≈ ny 1 + C ± (X − Xc )2 + Y 2 − (X − Xc )  (24) (n2y − n2x )(n2z − n2y )  .  C≡ (n2z − n2x ) (n2z − n2x ) − (n2z − n2y )

The fact that the coefficients of (X − Xc )2 and Y 2 in the square root are the same shows that the cones are circular near their intersection (in both the R and s spaces). The polarizations (isogyres) d are the eigenvectors defined by (19). Geometrically, these are the principal axes of the ellipse defined by the intersection of the plane normal to s with the indicatrix (Nye 1995). On the s sphere (figure 5(a)) these are specified by the angle µ(s). A calculation from (19) gives

sin 2φ cos θ . (25) (β/α) sin2 θ − cos 2φ cos2 θ This gives both polarizations (with µ values differing by 2π). At the optic axes (21), the numerator and denominator vanish, so that the pattern of isogyres is singular. In the projective plane, where d is specified by the angle σ (R), equation (25) can be cast in an interesting form by introducing the complex direction variable tan 2µ(s) =

ζ ≡ X + iY

and the following complex function with zeros at each of the optic axes:   1 β A(ζ ) ≡ (1 − ζ 2 )2 − 4ζ 2 = (ζ 2 − Xc2 ) ζ 2 − 2 . α Xc

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Then the isogyres (now denoted σ (ζ )) satisfy Im A(ζ ) exp {−2iσ (ζ )} = 0.

(28)

From this we can find a function B(ζ ) whose real and√ imaginary parts have the isogyres as their contours. For if we choose exp −iσ = B  (ζ ) = 1/ A, then ∇Re B = {cos σ, sin σ } and ∇Im B = {− sin σ, cos σ }. The function is    ζ dζ ζ (29) , Xc4 = Xc F arcsin B(ζ ) = √ Xc A(ζ ) 0

where F denotes the elliptic integral (we use the convention in MathematicaTM (Wolfram 1991)).

Figure 7. Isogyres in the projective plane, calculated for

nx = 1.563, ny = 1.58, nz = 1.883; the optic axes are at Xc = 0.133, corresponding to an angle θc = 13.4◦ .

Figure 7 shows the orthogonal net of polarization directions, computed from (29), for a range that includes the two optic axes in the northern hemisphere of the s plane. The pattern is dominated by the singularities at ±Xc . Around a circuit of each singularity, each of the two polarizations rotates by π in the same sense as the circuit. This means that each singularity has index +1/2; it cannot be otherwise, because the total index of singularities of a line field on a sphere must, by the ‘hairy sphere’ theorem (Spivak 1975, Iyanaga and Kawada 1968), be +2 (the Euler–Poincar´e characteristic of a sphere), and so each of the four identical optic-axis singularities must have index +1/2. In one classification of the singularities of line fields (Berry and Hannay 1977, Berry and Upstill 1980), these are ‘lemons’; the terminology arose in connection with umbilic points on surfaces (Darboux 1896, see also the historical remarks in Berry 1989). In the image intensity (18), the first factor can be written explicitly by means of (28) as    2  2 Im A(ζ ) − Re A(ζ ) cos 4γ − 2Re A(ζ )Im A(ζ ) sin 4γ 1 1+ . sin2 {2 (γ − σ (R))} =   2 A(ζ )2 (30)

Now the full intensity can be calculated from (18), (16), (10) and (22), and rendered as density plots to simulate the observations (e.g., those in figure 3). Three such simulations, for different values of the polarizer orientation γ , are shown in figure 8(a–c); they should be compared with the experimental figure 3(a), whose conditions they have been chosen to match, as will be explained in section 6. The most striking features are the two bullseyes, centred on the optic axes. Figure 8(d) shows a magnification of one of these. We have already mentioned the broad black brush

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[2.6]  187 Black plastic sandwiches and optical anisotropy

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(a)

(b)

(c)

(d)

Figure 8. Simulations of the conoscopic figures, calculated from equation (18) as density plots of the intensity I (R, γ ) for the same conditions as in figure 7, with λ = 0.546 µm, L = 100 µm. (a) γ = 0; (b) γ = π/8; (c) γ = π/4. A magnification of one of the bullseyes in (b) is shown in (d).

through the centre. This has its origin in the first factor in (18). During a circuit of the bullseye, the black brush will be encountered whenever σ (R) = γ (modulo π/2). Because the singularity of the pattern of polarizations has index 1/2, σ (R) changes by π around such a circuit, so the brush condition will be satisfied twice. Now, close to the bullseye the change in σ (R) is uniform for a circular circuit; this follows from the square root singularity in (29) with (27). Therefore these two encounters will be on opposite sides of the bullseye, resulting in in a single black line passing through it smoothly. In local polar coordinates Rlocal , φlocal , the intensity of light emerging near the bullseye is I (R, γ ) ≈ sin2 (2γ − φlocal ) sin2 (DRlocal )

(R ≈ {Xc , 0})

(31)

where in the second factor D is a constant and the circularity of the cones (equation (24)) has been invoked. So, the black brushes are consequences of the fact that the eigenvectors d of Maxwell’s equation (19) are not single-valued, but reverse round a circuit of each bullseye. The reversal

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corresponds to a sign change in each eigenvector, i.e. a phase change of π. Such sign changes are universally present (Arnold 1978, Uhlenbeck 1976) during a circuit of a simple degeneracy of a real symmetric matrix (the operator in (19) can be expressed this way by a simple transformation), with two eigenvalues that coincide linearly. They are the simplest example of a geometric phase (Pancharatnam 1956, Berry 1984, Shapere and Wilczek 1989), and mathematically identical to the sign change on rotation of quantum particles with half-integer spin (Silverman 1980); that is why we call the black lines fermion brushes. In optics this fact that the polarization states have 4π spinor symmetry, even though photons are spin-1 particles, has been demonstrated experimentally (Bhandari 1993a, 1997). We emphasize that the fermion brushes occur here because the foil we use is biaxially anisotropic. If the material were uniaxial, as in plastic threads made by stretching in one direction, rather than two, this would correspond to confluence of the two optic axes, where the singularities would each have strength +1 instead of +1/2 (the total index on the s sphere would still be +2). Then the eigenvectors s would be single-valued, and the brush condition from (18) would be satisfied four times, rather than twice, in a circuit of each axis. Therefore each bullseye would be traversed by a black cross rather than a single black line, as is well known for uniaxial materials (Born and Wolf 1959) (in (31) this situation can be described locally by replacing φlocal by 2φlocal ). Bullseyes are not the only singularities of polarization optics. Consider propagation through the foil as described by a 2 × 2 unitary (Jones) matrix U, depending on R, whose eigenangles are ± 21 χ (R) (equation (16)). Degeneracies of U are the dark rings of the conoscopic figures, where 21 χ is a multiple of π; if the multiple is even U has eigenvalues +1, and if it is odd U has eigenvalues −1 (Bhandari and Love 1994). Special among these are the bullseyes: points in R where χ = 0 (eigenvalues +1) because of the equality (degeneracy) of the two refractive indices n± . A different sort of singularity, observed in interference experiments (Bhandari 1992a, b, 1993b) and yielding a phase change of 2π rather than π, occurs when two interfering polarization states become orthogonal, so that according to Pancharatnam’s definition (Pancharatnam 1956) a relative phase cannot be defined. In the present context these singularities are the rows of bright points of conoscopic figures between crossed polarizers (where the ‘anti-isogyres’cross the bright rings) or the points of zero intensity between parallel polarizers. 6. Characterizing the foil

We seek the three refractive indices nx , ny , nz . Many precise methods are available for this, described in detail in standard texts (Pockels 1906, Hartshorne and Stuart 1960, Bloss 1961). Our aim here is to show how a rough estimate of nx , ny and nz can be obtained with simple naked-eye observations. The three indices differ by small amounts, i.e. in equation (7) α  1 and β  1. Therefore the average index, which determines optical effects not involving polarization, can be chosen as ny . We measured this by the longitudinal shift of an image viewed through a stack of foils, with the films wetted with oil to reduce reflections from the interfaces; the result was ny = 1.57 ± 0.01, identical to the tabulated value for polycarbonate (Kroschwitz 1987). The remaining two refractive indices can be determined as follows. First, by measuring the angle 2θexternal between the bullseyes, the ratio α/β can be obtained from (21), using Snell’s law for the refraction correction relating θexternal to the direction θc of the optic axes in the foil: sin θexternal = ny sin θc .

(32)

For the foil that generated the bullseyes in figure 3(a), we measured θexternal = (24 ± 1)◦ , giving α/β = 0.07. Second, the phase difference between the two waves travelling normal to the foil can be determined from the number N of fringes between the bullseye (X = Xc ) and the centre of the pattern (at X = 0) where the two waves have zero phase difference. N need not be an integer, and is easiest to estimate by counting dark fringes. From equations (15) and

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[2.6]  189 Black plastic sandwiches and optical anisotropy

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(16), this gives Nλ . (33) L From figure 3(a), N ≈ 3.1, and since the foil has thickness 0.1 mm we find, for λ = 0.546 µm, ny − nx = 0.017. Collecting these results, for the foil we used (Niceday Write-on OHP film) we find ny − nx =

nx = 1.553

ny = 1.57

nz = 1.88.

(34)

Although two of the values are close together, the rather large angle between the optic axes indicates that the foil is far from uniaxial. The large index corresponds to waves whose D vector is normal to the foil. At this point we encounter an annoying ambiguity, related to the ordering of the refractive indices nx , ny , nz , and known in the literature as the problem of the optic sign (Bloss 1961). The observation of bullseyes rules out the possibility that the intermediate index corresponds to the direction normal to the foil (if it did, the optic axes would lie in the plane of the foil); this motivated our conventional choice of ny as the intermediate index. For the remaining indices, we made the assumption nx < nz (equation (6)), that is, the smallest refractive index corresponds to waves polarized in the plane of the foil. But what if the opposite is true, i.e. nx > nz ? Then α and β would both be negative; but this would leave unaffected the ratio determining the axis θc according to (21). Incorporating the measurement of the fringe number N, we find that if a and b are small but otherwise arbitrary, the following two situations cannot be distinguished by the pattern of bullseyes they produce:   (ny − a)(= nx ), ny , (ny + b)(= nz ) (35)   (ny − b)(= nz ), ny , (ny + a)(= nx ) . If a and b are different, these represent physically different materials. We think that this ambiguity could be resolved only by a much more accurate experiment than those envisaged here, equivalent to directly measuring the indices nx and ny by the lateral shifts of images seen through a stack of foils, using x- and y-polarized light, and seeing which is the larger. In the present case, the alternative determination gives physically unacceptable indices, namely 1.60, 1.58 and 1.28 (the lowest value—less than that of water—is too small for a plastic). Acknowledgment

We thank Professor J F Nye for a careful reading of the manuscript. References Arnold V I 1978 Mathematical Methods of Classical Mechanics (Berlin: Springer) Berry M V 1984 Quantal phase factors accompanying adiabatic changes Proc. R. Soc. A 392 45–57. ——1989 Geometric Phases in Physics ed A Shapere and F Wilczek (Singapore: World Scientific) pp 7–28 Berry M V and Hannay J H 1977 Umbilic points on Gaussian random surfaces J. Phys. A: Math. Gen. 10 1809–21 Berry M V and Upstill C 1980 Catastrophe optics: morphologies of caustics and their diffraction patterns Progr. Opt. 18 257–346 Bhandari R 1992a Observation of Dirac singularities with light polarization. I Phys. Lett. A 171 262–6 ——1992b Observation of Dirac singularities with light polarization. II Phys. Lett. A 171 267–70 ——1993a 4p spinor symmetry—some new observations Phys. Lett. A 180 15–20 ——1993b Interferometry without beam splitters—a sensitive technique for spinor phases Phys. Lett. A 180 21–4 ——1997 Polarization of light and topological phases Phys. Rep. 281 1–64 Bhandari R and Love J 1994 Polarization eigenmodes of a QHQ retarder—some new features Opt. Commun. 10 479–84 Bloss F D 1961 An Introduction to the Methods of Optical Crystallography (New York: Holt, Rinehart and Winston) Born M and Wolf E 1959 Principles of Optics (Oxford: Pergamon) Darboux G 1896 Lecons sur la theorie des surfaces (Paris: Gauthier-Villars)

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Gibbs J W 1882 On double refraction in perfectly transparent media which exhibit the phenomenon of circular polarization Am. J. Sci. (ser. 3) 23 460–76 Goldhammer M D 1892 Theorie electromagnetique de la polarisation roratiore naturelle des corps transparents J. Physique Theor. Appl. (ser. 3) 1 205–9 Hartshorne N H and Stuart A 1960 Crystals and the Polarising Microscope (London: Arnold) Herzberg G and Longuet-Higgins H C 1963 Intersection of potential-energy surfaces in polyatomic molecules Disc. Faraday Soc. 35 77–82 Iyanaga S and Kawada Y (ed) 1968 Encyclopedic Dictionary of Mathematics (Cambridge, MA: MIT Press) Keller A 1998 Private communication Kroschwitz J I (ed) 1987 Encyclopedia of Polymer Science and Engineering (New York: Wiley) Landau L D, Lifshitz E M and Pitaevskii L P 1984 Electrodynamics of Continuous Media (Oxford: Pergamon) Mead C A and Truhlar D G 1979 On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei J. Chem. Phys. 70 2284–96 Nye J F 1995 Physical Properties of Crystals (Oxford: Clarendon) ch 13 and appendix H Pancharatnam S 1956 Generalized theory of interference, and its applications. Part I. Coherent pencils Proc. Ind. Acad. Sci. A 44 247–62 Pockels F 1906 Lehrbuch der Kristalloptik (Leipzig: Teubner) Pocklington H C 1901 On rotatory polarization in biaxial crystals Lond., Edin. Dublin Phil. Mag. J. Sci. (ser. 2) 2 361–70 Shapere A and Wilczek F (ed) 1989 Geometric Phases in Physics (Singapore: World Scientific) Silverman M 1980 The curious problem of spinor rotation Eur. J. Phys. 1 116–23 Simon B 1983 Holonomy, the quantum adiabatic theorem, and Berry’s phase Phys. Rev. Lett. 51 2167–70 Spivak M 1975 A Comprehensive Introduction to Differential Geometry (San Francisco, CA: Publish or Perish) Teller E 1937 The crossing of potential surfaces J. Phys. Chem. 41 109–16 Uhlenbeck K 1976 Generic properties of eigenfunctions Am. J. Math. 98 1059–78 Wolfram S 1991 Mathematica (Reading, MA: Addison-Wesley)

Figure 9. Colour image of conoscopic interference in white light for a single bullseye.

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[2.7]  191 INSTITUTE OF PHYSICS PUBLISHING

JOURNAL OF OPTICS A: PURE AND APPLIED OPTICS

J. Opt. A: Pure Appl. Opt. 6 (2004) S24–S25

PII: S1464-4258(04)66577-9

Black polarization sandwiches are square roots of zero M V Berry and M R Dennis H H Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL, UK

Received 29 July 2003, accepted for publication 28 August 2003 Published 24 February 2004 Online at stacks.iop.org/JOptA/6/S24 (DOI: 10.1088/1464-4258/6/3/004) Abstract In the 2 × 2 matrices representing retarders and ideal polarizers, the eigenvectors are orthogonal. An example of the opposite case, where eigenvectors collapse onto one, is matrices M representing crystal plates sandwiched between a crossed polarizer and analyser. For these familiar combinations, M2 = 0, so black sandwiches can be regarded as square roots of zero. Black sandwiches illustrate physics associated with degeneracies of non-Hermitian matrices. Keywords: polarization, degeneracy, nilpotence, matrix optics

Tudor [1, 2] has recently remarked that the common classification of polarizing devices into retarders, represented by unitary operators, and ideal polarizers, represented by projection operators, fails to include some commonly used combinations of optical elements. Both retarders and ideal polarizers are represented by 2 × 2 Jones matrices [3–5] whose eigenvectors are orthogonal; the difference lies in the eigenvalues: for retarders, two complex eigenvalues lie on the unit circle, and for ideal polarizers, one eigenvalue is zero. Tudor gives the example of a linear polarizer followed by a quarter-wave plate, where the eigenvectors are not orthogonal. He also gives an example of the extreme case of nonorthogonal eigenvectors, namely parallel eigenvectors: a linear polarizer sandwiched between two identical quarterwave plates oriented at 45◦ to the axes of the polarizer; this example falls into a class described by de Lang [6]. Here we extend Tudor’s remark in a very simple way, by pointing out that this extreme case of parallel eigenvectors is realized optically by a much wider class of devices including some of the most familiar combinations employed in polarization optics, namely any specimen (e.g. a crystal plate) between a crossed polarizer and analyser—which we call a black sandwich, for obvious reasons. The matrix for a black sandwich is M = P+ AP− , (1) where

P± = |±��±|

(2)

are the projection matrices corresponding to the ideal polarizer (−) and analyser (+) that select orthogonal states represented by the column (e.g. Jones) vectors |±�, and A, representing the specimen, can be any 2 × 2 matrix. 1464-4258/04/030024+02$30.00 © 2004 IOP Publishing Ltd

Because of its unsymmetrical form (polarizer and analyser different), M is non-Hermitian, and explicit calculation shows that both of its eigenvalues are zero. Therefore the two eigenvectors, that are different for the general case, have here collapsed onto one, namely |+�. A polarization |ψ� entering the black sandwich emerges in the state M|ψ� = (�+|A|−��−|ψ�)|+�.

(3)

In contrast to the ideal polarizer P+ , from which the emerging light is also in the state |+� but which extinguishes incident light in the orthogonal state |−�, the black sandwich extinguishes its own eigenstate. This is obvious when M is written in the form M = (�+| A|−�)|+��−|. (4) It follows immediately that

M2 = 0,

(5)

i.e. M is nilpotent, reflecting the obvious fact that the combination of two black sandwiches extinguishes all light. Therefore black sandwiches (1), incorporating general matrices A, can be regarded as nontrivial square roots of zero. (The trivial square root M = 0 corresponds to A = 1—simply a crossed polarizer and analyser, i.e. a sandwich with no filling.) A familiar black sandwich consists of a transparent crystal plate between a linear polarizer and analyser. If the polarizer and analyser are   0 |−� = (polarizer), 1 (6)   1 |+� = (analyser), 0

Printed in the UK

S24

‘Black polarization sandwiches are square roots of zero’ by Berry, M. V., & Dennis, M. R., 2004, Journal of Optics A 6, S24-S25. © IOP Publishing. Reproduced with permission. All rights reserved.

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and the orthogonal eigenpolarizations and eigenvalues of the crystal are   u |φ1 � = , eigenvalue λ0 + λ, v (7)  ∗  v |φ2 � = , eigenvalue λ0 − λ, ∗ −u with |u|2 + |v|2 = 1, then A is the unitary matrix

A = exp(iλ0 )[|φ1 ��φ1 | exp(iλ) + |φ2 ��φ2 | exp(−iλ)]

  2 |u| − |v|2 = exp(iλ0 ) cos λI + i sin λ 2u ∗ v

2uv ∗ |v| − |u|2 2



,

(8)

and the black sandwich matrix is M = �+|A|−�|+��−| = 2iuv ∗ exp(iλ0 ) sin λ



0 0

1 0



. (9)

For an anisotropic material, the polarization components u and v depend on direction, and any diffuse light (e.g. the sky, or white paper) viewed through the sandwich will exhibit the familiar conoscopic figures [7, 8]. An easy way to see the conoscopic figures displaying the polarization singularity at the optic axis of a biaxial material is with a ‘crystal’ consisting of a sheet of overhead-projector transparency film [9], so this ‘black plastic sandwich’ is a square root of zero. For conoscopic figures corresponding to more general polarization singularities, with A representing crystals that are gyrotropic and dichroic as well as birefringent, see [10]. The de Lang class [6] of nilpotent devices, mentioned at the end of the first paragraph, is more restricted, being of the form M = UPU, where U is a quarter-wave retarder whose eigenpolarizations are directions on the Poincar´e sphere perpendicular to that selected by P. This class forms a four-parameter family of devices (including overall phase), whereas the black sandwiches form a ten-parameter family (or, if A is restricted to the class of retarders, a six-parameter family). The polarization optics of black sandwiches joins a growing class of physics associated with the collapse of two eigenvectors onto one at a degeneracy of eigenvalues of non-Hermitian matrices. Other examples occur in the diffraction of atoms by ‘crystals of light’ [11–13], in nuclear physics [14–17], and in the linewidths of unstable lasers [18]. Such degeneracies also occur in the optics of absorbing crystals [8, 10, 19–21], for light travelling along a ‘singular axis’ (to avoid confusion, we emphasize that in (1) these degeneracies occur in the crystal matrix A, not the black sandwich matrix M).

Acknowledgments MVB is supported by the Royal Society, and MRD is supported by the Leverhulme Trust.

References [1] Tudor T 2003 Generalized observables in polarization optics J. Phys. A: Math. Gen. 36 9577–90 [2] Tudor T 2003 ICO Topical Meeting on Polarization Optics (Physics Department Selected Papers 8) ed A A Friesem and J Turunen (Polvij¨arvi: University of Joensuu) pp 46–47 [3] Azzam R M A and Bashara N M 1977 Ellipsometry and Polarized Light (Amsterdam: North-Holland) [4] Berry M V and Klein S 1996 Geometric phases from stacks of crystal plates J. Mod. Opt. 43 165–80 [5] Brosseau C 1998 Fundamentals of Polarised Light: a Statistical Optics Approach (New York: Wiley) [6] de Lang H 1967 Polarization properties of optical resonators passive and active Philips Res. Rep. 37 Suppl. 1–67 [7] Born M and Wolf E 1959 Principles of Optics (London: Pergamon) [8] Ramachandran G N and Ramaseshan S 1961 Crystal optics Handbuch der Physik vol XXV/I, ed H Fl¨ugge (Berlin: Springer) [9] Berry M V, Bhandari R and Klein S 1999 Black plastic sandwiches demonstrating biaxial optical anisotropy Eur. J. Phys. 20 1–14 [10] Berry M V and Dennis M R 2003 The optical singularities of birefringent dichroic chiral crystals Proc. R. Soc. A 459 1261–92 [11] Oberthaler M K, Abfalterer R, Bernet S, Schmiedmayer J and Zeilinger A 1996 Atom waves in crystals of light Phys. Rev. Lett. 77 4980–3 [12] Berry M V and O’Dell D H J 1998 Diffraction by volume gratings with imaginary potentials J. Phys. A: Math. Gen. 31 2093–101 [13] Berry M V 1998 Lop-sided diffraction by absorbing crystals J. Phys. A: Math. Gen. 31 3493–502 [14] Heiss W D 2000 Repulsion of resonance states and exceptional points Phys. Rev. E 61 929–32 [15] Heiss W D and Harney H L 2001 The chirality of exceptional points Eur. Phys. J. D 17 149–51 [16] Rotter I 2001 Correlations in quantum systems and branch points in the complex plane Phys. Rev. C 64 034301 [17] Rotter I 2002 Branch points in the complex plane and geometric phases Phys. Rev. E 65 026217 [18] Berry M V 2003 Mode degeneracies and the Petermann excess-noise factor for unstable lasers J. Mod. Opt. 50 63–81 [19] Pancharatnam S 1955 The propagation of light in absorbing biaxial crystals—I. Theoretical Proc. Indian Acad. Sci. 42 86–109 [20] Pancharatnam S 1955 The propagation of light in absorbing biaxial crystals—II. Experimental Proc. Indian Acad. Sci. 42 235–48 [21] Berry M V 1994 Pancharatnam, virtuoso of the Poincar´e sphere: an appreciation Curr. Sci. 67 220–23

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The bicentenary of the birth in 1805 of William Rowan Hamilton (fig. 1) comes at a time of renewed interest in the phenomenon of conical refraction (Born and Wolf [1999], Landau, Lifshitz and Pitaevskii [1984]), in which a narrow beam of light, incident along the optic axis of a biaxial crystal, spreads into a hollow cone within the crystal, and emerges as a hollow cylinder. The prediction of the effect in 1832 (Hamilton [1837]), and its observation by Lloyd (fig. 1) soon afterwards (Lloyd [1837]), caused a sensation. For a non-technical account, see Lunney and Weaire [2006]. Our purpose here is to describe how the current understanding of conical refraction has been reached after nearly two centuries of theoretical and experimental study. Although our treatment will be roughly historical, we do not adhere to the practice, common in historical research, of describing each episode using only sources and arguments from the period being studied. For the early history of conical refraction, this has already been done, by Graves [1882] and O’Hara [1982]. Rather, we will weave each aspect of the theory into the historical development in ways more concordant with the current style of theoretical physics, hoping thus to bring out connections with other phenomena in mathematics and physics. There are many reasons why conical refraction is worth revisiting: (i) It was an early (perhaps the first) example of a qualitatively new phenomenon predicted by mathematical reasoning. By the early 1800s, it was widely appreciated that mathematics is essential to understanding the natural world. However, the phenomena to which mathematics had been applied were already familiar (e.g., tides, eclipses, and planetary orbits). Prediction of qualitatively new effects by mathematics may be commonplace today, but in the 1830s it was startling. (ii) With its intimate interplay of position and direction, conical refraction was the first non-trivial application of phase space, and of what we now call dynamics governed by a Hamiltonian. (iii) Its observation provided powerful evidence confirming that light is a transverse wave.

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Conical diffraction and Hamilton’s diabolical point

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Fig. 1. Dramatis personae.

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Introduction

17

(iv) Recently, it has become popular to study light through its singularities (Berry [2001], Nye [1999], Soskin and Vasnetsov [2001]). In retrospect, we see conical refraction as one of the first phenomena in singular polarization optics; another is the pattern of polarization in the blue sky (Berry, Dennis and Lee [2004]). (v) It was the first physical example of a conical intersection (diabolical point) (Berry [1983], Uhlenbeck [1976], Berry and Wilkinson [1984]) involving a degeneracy. Nowadays, conical intersections are popular in theoretical chemistry, as spectral features indicating the breakdown of the Born–Oppenheimer separation between fast electronic and slow nuclear freedoms (Cederbaum, Friedman, Ryaboy and Moiseyev [2003], Herzberg and Longuet-Higgins [1963], Mead and Truhlar [1979]). By analogy, conical refraction can be reinterpreted as an exactly solvable model for quantum physics in the presence of a degeneracy. (vi) The effect displays a subtle interplay of ray and wave physics. Although its original prediction was geometrical (Sections 3 and 4), there are several levels of geometrical optics (Sections 5 and 7), of which all except the first require concepts from wave physics, and waves are essential to a detailed understanding (Section 6). That is why we use the term conical diffraction, and why the effect has taken so long to understand. (vii) Analysis of the theory (Berry [2004b]) led to identification of an unexpected universal phenomenon in mathematical asymptotics: when exponential contributions to a function compete, the smaller exponential can dominate (Berry [2004a]). (viii) There are extensions (Section 8) of the case studied by Hamilton, and their theoretical understanding still presents challenges. Effects of chirality (optical activity) have only recently been fully understood (Belsky and Stepanov [2002], Berry and Jeffrey [2006a]), and further extensions incorporate absorption (Berry and Jeffrey [2006b], Jeffrey [2007]) and nonlinearity (Indik and Newell [2006]). (ix) Conical diffraction is a continuing stimulus for experiments. Although the fine details of Hamilton’s original phenomenon have now been observed (Berry, Jeffrey and Lunney [2006]), predictions of new structures that appear in the presence of chirality, absorption and nonlinearity remain untested. (x) The story of conical diffraction, unfolding over 175 years, provides an edifying contrast to the current emphasis on short-term science. Although all results of the theory have been published before, some of our ways of presenting them are original. In particular, after the exact treatment in

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Conical diffraction and Hamilton’s diabolical point

[2, § 2

Sections 2–4 we make systematic use of the simplifying approximation of paraxiality. This is justified by the small angles involved in conical diffraction (Appendix 1), and leads to what we hope are the simplest quantitative explanations of the various phenomena.

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§ 2. Preliminaries: electromagnetism and the wave surface

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Hamilton’s prediction was based on a singular property of the wave surface describing propagation in an anisotropic medium. Originally, this was formulated in terms of Fresnel’s elastic-solid theory. Today it is natural to use Maxwell’s electromagnetic theory. For the physical fields in a homogeneous medium, we write plane waves with wavevector k and frequency ω as � � �� Re {Dk , Ek , Bk , Hk } exp i(k · r − ωt) , (2.1)

in which the vectors Dk , etc., are usually complex. From Maxwell’s curl equations, ωDk = −k × Hk ,

ωBk = k × Ek .

(2.2)

Ek = ε

Dk ,

Bk = μ0 Hk .

(2.3)

ε−1 is the inverse dielectric tensor, conveniently expressed in principal axes as ⎛ ⎞ 0 0 1/n21 1 ⎝ 0 ε−1 = (2.4) 1/n22 0 ⎠, ε0 0 0 1/n23

where ni are the principal refractive indices, all different, with the conventional ordering

(2.5)

n 1 < n2 < n3 .

For biaxiality (all ni different), the microscopic structure of the material must have sufficiently low symmetry; in the case of crystals, this is a restriction to the orthorhombic, monoclinic or triclinic classes (Born and Wolf [1999]). Conical refraction depends on the differences between the indices, so we define 1 1 α ≡ 2 − 2, n1 n2

1 1 β ≡ 2 − 2. n2 n3

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A complete specification of the fields requires constitutive equations. For a transparent nonmagnetic nonchiral biaxial dielectric, these can be written as −1

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(2.6)

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Preliminaries: electromagnetism and the wave surface

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It will be convenient to express the wavevector k in terms of the refractive index nk , through the definitions ω k ≡ kek ≡ k0 nk ek , k0 ≡ , (2.7) c incorporating 1 . c= √ ε0 μ0

(2.8)

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Of several different graphical representations (Born and Wolf [1999], Landau, Lifshitz and Pitaevskii [1984]) of the propagation governed by nk± , we choose the two-sheeted polar plot in direction space; this is commonly called the wave surface, though there is no universally established terminology. The wave surface has the same shape as the constant ω surface in k space, that is [cf. eq. (2.7)], the contour surface of the dispersion relation (2.11)

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ω(k) is the Hamiltonian generating rays in the crystal, with k as canonical momentum. An immediate application of the wave surface, known to Hamilton and central to his discovery, is that for each of the two waves with wavevector k, the ray direction, that is, the direction of energy transport, is perpendicular to the corresponding sheet of the surface. This can be seen from the first Hamilton equation, according to which the group (ray) velocity is vg = ∇k ω(k)

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(2.9)

This involves a 3 × 3 matrix whose determinant vanishes, and the two eigenvalues λ± of the 2 × 2 inverse dielectric tensor transverse to k give the refractive indices 1 . nk± =  (2.10) λ± (ek )

ck ; ω(k) ≡ nk

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It is simpler to work with the electric vector D rather than E, because D is always transverse to the propagation direction ek . Then eqs. (2.2) and (2.3) lead to the following eigenequation determining the possible plane waves:   1 Dk = −ek × ek × ε0 ε−1 · Dk . 2 nk

1

(2.12)

(for this case of a homogeneous medium, the second Hamilton equation simply asserts that k is constant along a ray). Alternatively (Landau, Lifshitz and

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Conical diffraction and Hamilton’s diabolical point

[2, § 3

Pitaevskii [1984]), the ray direction can be regarded as that of the Poynting vector, S = Re E∗ × H,

(2.13)

because for any displacement dk with ω constant – that is, any displacement in the wave surface –   1 S · dk = ω Re E∗ · dD − dE∗ · D + H · dB∗ − dH · B∗ = 0, (2.14) 2 where the first equality is a consequence of Maxwell’s equations and the second follows from the linearity and Hermiticity of the constitutive relations (2.3). (This argument is slightly more general than that of Landau, Lifshitz and Pitaevskii [1984], because it includes transparent media that are chiral as well as biaxial.)

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§ 3. The diabolical singularity: Hamilton’s ray cone

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Figure 2 is a cutaway representation of the wave surface, showing four points of degeneracy where nk+ = nk− , located on two optic axes in the k1 , k3 plane in k space. Each intersection of the surfaces takes the form of a double cone, that is, a diabolo, and since these are the organizing centres of degenerate behaviour we call them diabolical points, a term adopted in quantum (Ferretti, Lami and

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Fig. 2. Wave surface for n1 = 1.1, n2 = 1.4, n3 = 1.8, showing the four diabolical points on the two optic axes.

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The diabolical singularity: Hamilton’s ray cone

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Fig. 3. The ray cone is a slant cone normal to the wave cone.

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Villani [1999]) and nuclear physics (Chu, Rasmussen, Stoyer, Canto, Donangelo and Ring [1995]) as well as optics. In fact, such degeneracies are to be expected, because of the theorem of Von Neumann and Wigner [1929] that degeneracies of real symmetric matrices [such as that in (2.9)] have codimension two, and indeed we have two parameters, representing the direction of k. Hamilton’s insight was that at a diabolical point the normals (rays) to the surfaces are not defined, so there are infinitely many normals (rays), not two as for all other k. These normals to the wave cone define another cone. This is the ray cone (fig. 3), about whose structure – noncircular and skewed – we can learn by extending an argument of Born and Wolf [1999]. We choose k along an optic axis, and track the Poynting vector as D rotates in the plane transverse to k. From (2.13) and Maxwell’s equations, S can be expressed as � � c Re E∗ · Dek − E∗ · ek D . S= (3.1) nk Using coordinates kx , ky , kz , with ez along k and ex in the k1 , k3 plane (i.e., ey = e2 ), ⎛ ⎞ ⎛ ⎞ Ex Dx 1 � � �−1 ε D. D = ⎝ Dy ⎠ , (3.2) E = ⎝ Ey ⎠ = ε0 0 Ez

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Conical diffraction and Hamilton’s diabolical point

Here ε � is the rotated dielectric matrix, determined by four conditions: rotation about the y axis does not change components involving the 2 axis, the choice of k along an optic axis (degeneracy) implies that the xx and yy elements are the same, and the trace and determinant of the matrices ε and ε� are the same. Thus √ ⎞ ⎛ ⎞ ⎛ αβ 1 0 0 0 0 � � �−1 1 ⎝ ε0 ε (3.3) = 2 0 1 0⎠ + ⎝ 0 0 0 ⎠. √ n2 αβ 0 α − β 0 0 1

It follows that, in eq. (3.1),

� 1 � |Dx |2 + |Dy |2 , E ·D= 2 ε0 n2 1� Ez = E∗ · ek = αβDx . ε0

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Dy = D sin φ,

� � 1 − + e cos 2φ + e sin 2φ) . tan 2A(e e z x x y 2 ε0 n32 cD 2

(3.4)

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This is the ray surface, in the form of a skewed noncircular cone (fig. 3), with half-angle A given by � tan 2A = n22 αβ, (3.7)

From eq. (3.6) it is clear that in a circuit of the ray cone (2φ = 2π), the polarization direction φ rotates by half a turn, illustrating the familiar ‘fermionic’ property of degeneracies (Berry [1984], Silverman [1980]). The direction of the optic axis, that is, the polar angle θc in the xz plane (fig. 2) can be determined from the rotation required to transform ε into ε � . Thus ε� = RεR−1 ,

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Denoting the direction of D in the kx , ky plane by φ, that is Dx = D cos φ,

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[2, § 3

(3.8)

where

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sin θc R=⎝ 0 cos θc

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The bright ring of internal conical refraction

whence identification with eq. (3.3) fixes θc as  α . tan θc = β

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§ 4. The bright ring of internal conical refraction

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In a leap of insight that we now recognise as squarely in the spirit of singular optics, Hamilton [1837] realised that the ray cone would appear inside a crystal slab, on which is incident a narrow beam directed along the optic axis. The hollow cone would refract into a hollow cylinder outside the slab (fig. 4). This is a singular situation because a beam incident in any other direction would emerge, doubly refracted, into just two beams, not a cylinder of infinitely many rays. This is internal conical refraction, so-called because the cone is inside the crystal. Hamilton also envisaged external conical refraction, in which a different optical arrangement results in a cone outside the crystal. This is associated with a circle of contact between the wave surface and a tangent plane, “somewhat as a plum can be laid down on a table so as to touch and rest on the table in a whole circle of contact” (Graves [1882]). Since the theory is similar for the two effects,

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Fig. 4. Schematic of Hamilton’s prediction of internal conical refraction.

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[2, § 4

Conical diffraction and Hamilton’s diabolical point

our emphasis henceforth will be on internal, rather than external, conical refraction. Hamilton’s research attracted wide attention. According to Graves [1882], Airy called conical refraction “perhaps the most remarkable prediction that has ever been made”; and Herschel, in a prescient anticipation of singular optics, wrote “of theory actually remanding back experiment to read her lesson anew; informing her of facts so strange, as to appear to her impossible, and showing her all the singularities she would observe in critical cases she never dreamed of trying”. In particular, the predictions fascinated Lloyd [1837], who called them “in the highest degree novel and remarkable”, and regarded them as “singular and unexpected consequences of the undulatory theory, not only unsupported by any facts hitherto observed, but even opposed to all the analogies derived from experience. If confirmed by experiment, they would furnish new and almost convincing proofs of the truth of that theory.” Using a crystal of aragonite, Lloyd succeeded in observing conical refraction. The experiment was difficult because the cone is narrow: the semi-angle A is small. If the slab has thickness l, the emerging cylinder, with radius

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is thin unless l is large. To see the cylinder clearly, R0 must be larger than the width w of the incident beam. Lloyd used a beam narrowed by passage through small pinholes with radii w  200 µm. As we will see, this interplay between R0 and w is important. However, large l brings the additional difficulty of finding a

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Table 1 Data for experiments on conical diffraction

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Experiment

n1 , n2 , n3

A (◦ )

l (mm)

w (µm)

Lloyd [1837] (aragonite) Potter [1841] (aragonite) Raman, Rajagopalan and Nedungadi [1941] (naphthalene) Schell and Bloembergen [1978a] (aragonite) Mikhailychenko [2005] (sulfur) Fève, Boulanger and Marnier [1994] (sphere of KTP = KTiOPO4 ) Berry, Jeffrey and Lunney [2006] (MDT = KGd(WO4 )2

1.5326, 1.6863, 1.6908 1.5326, 1.6863, 1.6908

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data not provided

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Fig. 5. The transition (a–d) from double to conical refraction as the incident beam direction approaches the optic axis. In (d) two rings are visible, separated by the Poggendorff dark ring studied in Section 5. This figure is taken from Berry, Jeffrey and Lunney [2006] (see also Table 1).

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clean enough length of crystal; Lloyd describes how he explored several regions of his crystal before being able to detect the effect. Nowadays it is simpler to use a laser beam with waist width w rather than a pinhole with radius w. Nevertheless, observation of the effect remains challenging. Table 1 summarises the conditions of the several experiments known to us; we will describe some of them later. Figure 5 illustrates how double refraction transforms into conical refraction as the direction of the incident light beam approaches an optic axis. Of this transformation, Lloyd [1837] wrote: “This phenomenon was exceedingly striking. It looked like a small ring of gold viewed upon a dark ground; and the sudden and

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[2, § 5

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Fig. 6. Simulation of rings for incident beam linearly polarized horizontally, with polarization directions superimposed, showing the ‘fermionic’ half-turn of the polarization.

almost magical change of the appearance, from two luminous points to a perfect luminous ring, contributed not a little to enhance the interest.” Lloyd also observed a feature that Hamilton had predicted: the half-turn of polarization round the ring (fig. 6).

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§ 5. Poggendorff’s dark ring, Raman’s bright spot

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Hamilton was aware that his geometrical theory did not give a complete description of conical refraction: “I suspect the exact laws of it depend on things yet unknown” (Graves [1882]). And indeed, as fig. 5(d) shows, closer observation reveals internal structure in Hamilton’s ring, that he did not predict and Lloyd did not detect: there is not one bright ring but two, separated by a dark ring. This was first reported in a brief but important paper by Poggendorff [1839] (fig. 1), who noted “. . .a bright ring that encompasses a coal-black sliver” (“einem hellen Ringe vereinigen, der ein kohlschwarzes Scheibchen einschliefst”). The existence of two bright rings, rather than one, was independently discovered soon afterwards by Potter [1841] (Table 1). After more than 65 years, the origin of Poggendorff’s dark ring was identified by Voigt [1905a] (fig. 1) (see also Born and Wolf [1999]), who pointed out that Hamilton’s prediction involved the idealization of a perfectly collimated infinitely narrow beam. This is incompatible with the wave nature of light: a beam

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Poggendorff’s dark ring, Raman’s bright spot

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of spatial width w must contain transverse wavevector components (i.e., kx , ky ) extending over at least a range 1/w (more, if the light is incoherent); this is just the optical analogue of the uncertainty principle. Therefore the incident beam will explore not just the diabolical point itself but a neighbourhood of the optic axis in k space. In fact Hamilton knew about the off-axis waves: “it was in fact from considering them and passing to the limit that I first deduced my expectation of conical refraction”. Lloyd too was aware of “the angle of divergence produced by diffraction in the minutest apertures”. Voigt’s observation was that the strength of the light generated bythe off-axis waves inside and outside the cylinder is proportional to the radius kx2 + ky2 of the circumference of contributing rings on the wave cone. At the diabolical point this vanishes, so the intensity is zero on the geometrical cylinder itself. Thus, the Poggendorff dark ring is a manifestation of the area element in plane polar coordinates in k space. The elementary quantitative theory of the Poggendorff ring is based on geometrical optics, incorporating the finite k width of the beam – which of course is a consequence of wave physics. Rigorous geometrical-optics treatments were given by Ludwig [1961] and Uhlmann [1982]; here, our aim is to obtain the simplest explicit formulae. To prepare for later analysis of experiments, we formulate the theory so as to describe the light beyond the crystal. Appropriately enough, we will use Hamilton’s principle. We begin with the optical path lengths from a point ri on the entrance face z = 0 of the crystal to a point r beyond the crystal at a distance z from the entrance face, for the two waves with transverse wavevector components kx , ky :  path length = kx (x − xi ) + ky (y − yi ) + l k02 n2k± − kx2 − ky2  + (z − l) k02 − kx2 − ky2 . (5.1) The exit face of the crystal is z = l, but all our formulae are also valid for z < l, corresponding to observations, made with lenses outside the crystal, of the virtual field inside the crystal, as was appreciated long ago by Potter [1841], and later by Raman [1941] and Raman, Rajagopalan and Nedungadi [1941]. For the geometrical theory and all subsequent analysis, we will use the following dimensionless variables (fig. 7): 1 {x + R0 , y}, w κ = {κx , κy } = κ{cos φκ , sin φκ } ≡ w{kx , ky }, R0 ρ0 ≡ . w ρ = {ξ, η} = ρ{cos φ, sin φ} ≡

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(5.2)

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Conical diffraction and Hamilton’s diabolical point

[2, § 5

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Here, transverse position ρ and transverse wavevectors κ are measured in terms of the beam width w, with ρ measured from the axis of the cylinder. Especially important is the parameter ρ0 , giving the radius of the cylinder in units of w; this single quantity characterises the field of rays – and also of waves, as we shall see – replacing the five quantities n1 , n2 , n3 , l, w. Well-developed rings correspond to ρ0 � 1. Near the diabolical point, κ is small, so we can write the sheets of the wave surface as   A(−κx ± κ) . nk± = n2 1 + (5.3) k0 n 2 w Now comes an important simplification, to be used in all subsequent analysis: because all angles are small (Table 1), we use the paraxial approximation (Appendix 1) to expand the square roots in eq. (5.1). This leads to path length = k0 (n2 l + z − l) + Φ± (κ, ρ, ρ i ),

(5.4)

21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36

where 1 Φ± (κ, ρ, ρ i ) ≡ κ · (ρ − ρ i ) ± κρ0 − κ 2 ζ 2

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(5.5)

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[2.8]  209 2, § 5]

Poggendorff’s dark ring, Raman’s bright spot

1

and

2

l + n2 (z − l) . (5.6) n 2 k0 w 2 Here ζ is a dimensionless propagation parameter, measuring distance from the ‘focal image plane’ z = l(1 − 1/n2 ) (fig. 7) where the sharpest image of the incident beam (pinhole or laser waist) would be formed if the crystal were isotropic (i.e., if A were zero). The importance of the focal image plane ζ = 0 was first noted in observations by Potter [1841]. By Hamilton’s principle, rays from {ρ i , 0} to {ρ, z} correspond to waves with wavenumber κ for which the optical distance is stationary. Thus

3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28

1

ζ ≡

∇κ Φ = ρ − ρ i ± ρ0 eκ − κζ = 0,

(5.7)

ρ − ρ i = (κζ ∓ ρ0 )eκ .

(5.8)

Consider for the moment rays from ρ i = 0. Squaring eq. (5.8) and using ρ > 0, κ > 0 leads to (ρ + ρ0 ) eρ , +: two solutions: (a): κ = ζ (ρ0 − ρ) eρ (ρ  ρ0 ), (b): κ = (5.9) ζ (ρ − ρ0 ) −: one solution: (c): κ = eρ (ρ  ρ0 ). ζ For each ρ, there are two solutions: (a); and either (b) (if ρ  ρ0 ) or (c) (if ρ  ρ0 ). As fig. 8 illustrates, these correspond to minus the slopes of the surface 1 2 κ ζ ∓ κρ0 . 2

2 3 4 5 6 7 8 9 10 11 12 13

that is

(5.10)

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Fig. 8. The ‘Hamiltonian’ surface (5.10) whose normals generate the paraxial rays.

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Conical diffraction and Hamilton’s diabolical point

[2, § 5

A ray bundle dκ will reach dρ at ζ with intensity proportional to |J |−1 where J is the Jacobian   dρ ∂(ξ, η) ρ0 J = det (5.11) = det =ζ ζ∓ . dκ ∂(κx , κy ) κ The ray equation (5.8) gives |J |−1 =

κ |ρ ± ρ0 | , = ζρ ζ 2ρ

  1 Gaussian beam: aG (κ) = exp − κ 2 . 2

2 3 4 5 6

(5.12)

which for the minus sign vanishes linearly on the cylinder ρ = ρ0 , where, from (5.9), the contributing wavevector is the diabolical point κ = 0. Thus the Poggendoff dark ring is an ‘anticaustic’. This geometrical theory also explains an important observation made by Raman, Rajagopalan and Nedungadi [1941] (fig. 1), who emphasized that the ring pattern changes dramatically beyond the crystal; in our notation, the pattern depends strongly on the distance ζ from the focal image plane. Raman saw that as ζ increases, a bright spot develops at ρ = 0. This is associated with the factor 1/ρ in the inverse Jacobian (5.12), corresponding to a singularity on the cylinder axis ρ = 0 – a line caustic, resulting from the ring of normals where the surface (5.10) turns over at κ = ρ0 /ζ (fig. 8). At the turnover, the surface is locally toroidal, so the Raman spot is analogous to the optical glory (Nussenzveig [1992], van de Hulst [1981]) − another consequence of an axial caustic resulting from circular symmetry. Raman, Rajagopalan and Nedungadi [1941] pointed out that the turnover is related to the circle of contact in external conical refraction, so that the two effects discovered by Hamilton cannot be completely separated. The central spot had been observed earlier by Potter [1841], who however failed to understand its origin. Since the factor 1/ρ in (5.12) applies to all z, why does the Raman spot appear only as ζ increases? The reason is that in the full geometrical-optics intensity Igeom , the inverse Jacobian must be modulated by the angular distribution of the incident beam. Let the incident transverse beam amplitude (assumed circular) have Fourier transform a(κ). Important cases are a pinhole with radius w, and a Gaussian beam with intensity 1/e half-width w, for which [in the scaled variables (5.2)] J1 (κ) circular pinhole: ap (κ) = , κ

1

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(5.13)

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[2.8]  211 2, § 6] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34

31

Belsky and Khapalyuk’s exact paraxial theory of conical diffraction

Incorporating the Jacobian and the ray equations gives   2 1  Igeom (ρ, ζ ) = 2 |ρ − ρ0 |a |ρ − ρ0 |/ζ  2ζ ρ   2  + (ρ + ρ0 )a (ρ + ρ0 )/ζ  .

1 2 3

(5.14)

The first term represents the bright rings, separated by the Poggendorff dark ring; in this approximation, the rings are symmetric. The second term is weak except near ρ = 0, where it combines with the first term to give the Raman central spot, with strength proportional to 2 1  a(ρ0 /ζ ) , (5.15) 2 ρζ which (for a Gaussian beam, for example) is exponentially small unless ζ approaches ρ0 , and decays slowly with ζ thereafter. Although Igeom captures some essential features of conical refraction, it fails to describe others. Like all applications of geometrical optics, it neglects interference and polarization, and fails where there are geometrical singularities. Here the singularities are of two kinds: a zero at the anticaustic cylinder ρ = ρ0 , and focal divergences on the axial caustic ρ = 0 and in the focal image plane ζ = 0. Interference and polarization can be incorporated by adding the geometrical amplitudes (square roots of Jacobians) rather than intensities, with phases given by the values of Φ± (from eq. (5.5)) at the contributing κ values. We will return to improvements of geometrical-optics theory in Section 7, and compare a more sophisticated version with exact wave theory (see fig. 12 later). The singularity at ζ = 0 is associated with our choice of ρ i = 0. Thus, although Igeom incorporates the effect of w on the angular spectrum of the incident beam, it neglects the more elementary lateral smoothing of the cylinder of conical refraction. One possible remedy is to average Igeom over points ρ i , that is, across the incident beam. In the focal image plane, where the unsmoothed I is singular, such averaging would obscure the Poggendorff dark ring. However, averaging over ρ i is correct only for incoherent illumination, which does not correspond to Lloyd’s and later experiments, where the light is spatially coherent. The correct treatment of the focal image plane, and of other features of the observed rings, requires a full wave theory.

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5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35

§ 6. Belsky and Khapalyuk’s exact paraxial theory of conical diffraction

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Nearly 40 years after Raman, the need for a full wave treatment, based on an angular superposition of plane waves, was finally appreciated. Following (and

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Conical diffraction and Hamilton’s diabolical point

[2, § 6

correcting) an early attempt by Lalor [1972], Schell and Bloembergen [1978a] supplied such a theory, but this was restricted to the exit face of the crystal (that is, it did not incorporate the ζ dependence of the ring pattern); moreover, it was unnecessarily complicated because it did not exploit the simplifying feature of paraxiality. The breakthrough was provided by Belsky and Khapalyuk [1978], who did make use of paraxiality and gave definitive general formulae, obtained after “quite lengthy calculations”, which they omitted. We now give an elementary derivation of the same formulae. The field D = {Dx , Dy } outside the crystal is a superposition of plane waves κ, each of which is the result of a unitary 2 × 2 matrix operator U(κ) acting on the initial vector wave amplitude a(κ). Thus  1 dκ exp{iκ · ρ}U(κ)a(κ). D= (6.1) 2π

1 2 3 4 5 6 7 8 9 10 11 12 13 14

15

U(κ) is determined from two requirements: its eigenphases must be the ρ-in-

15

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dependent part of the phases Φ± (5.5), involving the refractive indices n± (κ), and because the diabolical point at κ = 0 is a degeneracy, its eigenvectors (the eigenpolarizations) must change sign as φκ changes by 2π. These are satisfied by

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U(κ) = exp{−iF(κ)},

(6.2)

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where

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    1 sin φκ 1 0 cos φκ F(κ) = κ 2 ζ + ρ0 κ sin φκ − cos φκ 0 1 2 1 2 = κ ζ 1 + ρ0 κ · S, 2 in which the compact form involves two of the Pauli spin matrices

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κ · S = σ 3 κx + σ 1 κy . Evaluating the matrix exponential (6.2) gives the explicit form    1 2 sin ρ0 κ U(κ) = exp − iκ ζ cos ρ0 κ 1 − i κ ·S . 2 κ

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(6.3)

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(6.4)

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(6.5)

32 33

We learned from A. Newell of a connection between the evolution associated with U(κ) and analytic functions. Although we do not make use of this connection, it is interesting, and we describe it in Appendix 2. It is not hard to show that U(κ) possesses the required eigenstructure, namely

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U(κ)d± (κ) = λ± (κ)d± (κ),

(6.6)

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[2.8]  213 2, § 6] 1 2 3 4 5 6 7 8 9 10 11 12 13

Belsky and Khapalyuk’s exact paraxial theory of conical diffraction

where

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  1 2 λ± (κ) = exp i − κ ζ ± ρ0 κ , 2     1 cos 2 φκ sin 12 φκ d+ (κ) = , d− (κ) = . sin 12 φκ − cos 12 φκ

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D0 = d0 D0 (ρ) = d0

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(6.7)

∞

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(6.9)

dκ κJ0 (κρ)a(κ).

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∞ 0 ∞ 0

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 1 2 dκ κa(κ) exp − iζ κ J0 (κρ) cos(κρ0 ), 2 



1 dκ κa(κ) exp − iζ κ 2 J1 (κρ) sin(κρ0 ). 2

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(6.11)

I = D∗ · D = |B0 |2 + |B1 |2 .

28 29 30

These are the fundamental integrals of the Belsky–Khapalyuk theory. For unpolarized or circularly polarized incident light, eq. (6.10) gives the intensity as (6.12)

A useful alternative form for D, in terms of the eigenvectors d± evaluated at the direction φ of ρ, and involving

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where

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Combining eqs. (6.1), (6.5) and (6.9), we obtain, after elementary integrations, and recalling ρ = ρ{cos φ, sin φ},   B1 sin φ B0 + B1 cos φ d0 , D= (6.10) B0 − B1 cos φ B1 sin φ

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where a(κ) is the Fourier amplitude introduced in the previous section [cf. eq. (5.13)], related to the transverse incident beam profile D0 (ρ) by

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Without significant loss of generality, we can regard the incident beam as uniformly polarized and circularly symmetric, that is   d0x = a(κ)d0 , a(κ) = a(κ) (6.8) d0y

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A+ ≡ B0 + B1 ,

A− ≡ B0 − B1 ,

(6.13)

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is

Conical diffraction and Hamilton’s diabolical point

[2, § 7 1

  1 1 D = A+ d0x cos φ + d0y sin φ d+ (ρ) 2 2   1 1 + A− d0x sin φ − d0y cos φ d− (ρ). 2 2

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(6.14)

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D is a single-valued function of ρ, although d± (ρ) change sign around the origin. The corresponding intensity,    1 1 2 2 I = |A+ | d0x cos φ + d0y sin φ  2 2 (6.15)    1 1 2 2 + |A− | d0x sin φ − d0y cos φ  , 2 2

contains no oscillations resulting from interference between A+ and A− , because d+ and d− are orthogonally polarized. But, as we will see in the next section, the exact rings do possess oscillations, from A+ and A− individually. Associated with the polarization structure of the beam (6.14) (see also fig. 6) is an interesting property of the angular momentum (Berry, Jeffrey and Mansuripur [2005]): for well-developed rings (large ρ0 ), the initial angular momentum, which is pure spin, is transformed by the crystal into pure orbital, and reduced in magnitude, the difference being imparted to the crystal.

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§ 7. Consequences of conical diffraction theory

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We begin our explanation of the rich implications of the paraxial wave theory by obtaining an explicit expression for the improved geometrical-optics theory anticipated in Section 5. The derivation proceeds by replacing the Bessel functions in eq. (6.11) by their asymptotic forms, and then evaluating the integrals by their stationary-phase approximations. The stationary values of κ specify the rays (5.9), and the result, for the quantities A± , is: √       |ρ0 − ρ| |ρ0 − ρ| (ρ0 − ρ)2 1 if ρ < ρ0 A+geom = a exp i × , √ −i if ρ > ρ0 ζ ρ ζ 2ζ     √ ρ0 + ρ ρ0 + ρ (ρ0 + ρ)2 a exp i . A−geom = −i √ (7.1) ζ ρ ζ 2ζ For an incident beam linearly polarized in direction γ , that is   cos γ , d0 = sin γ

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(7.2)

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[2.8]  215 2, § 7] 1 2 3 4 5

Consequences of conical diffraction theory

the resulting electric field (6.14) is     1 1 D = A+geom cos φ − γ d+ (φ) + A−geom sin φ − γ d− (φ), 2 2

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(7.3)

and the intensity is

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Igeom1 = D · D      1 1 = |A+geom |2 cos2 φ − γ + |A−geom |2 sin2 φ − γ . (7.4) 2 2 The elementary geometrical-optics intensity Igeom (5.14) is recovered for unpolarized light by averaging over γ , or by superposing intensities for any two orthogonal incident polarizations. Without such averaging, the first term in Igeom1 gives the lune-shaped ring structure observed by Lloyd (fig. 6) with linearly polarized light, and both terms combine to give the unpolarized geometrical central spot. Next, we examine the detailed structure of the Poggendorff rings, starting with the focal image plane ζ = 0 where the rings are most sharply focused. Figure 9

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Fig. 9. Emergence of double ring structure in the focal image plane ζ = 0 as ρ0 increases, computed from eq. (6.10) for an unpolarized Gaussian incident beam. (a) ρ0 = 0.5; (b) ρ0 = 0.8; (c) ρ0 = 2; (d) ρ0 = 4.

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Conical diffraction and Hamilton’s diabolical point

[2, § 7

shows how the double ring emerges as ρ0 increases. Significant events, corresponding to sign changes in the curvature of I at ρ = 0, are: the birth of the first ring when ρ0 = 0.627; the birth of a central maximum when ρ0 = 1.513; and the birth of the second bright ring when ρ0 = 2.669. As ρ0 increases further, the rings become localized near ρ = ρ0 , but their shape is independent of ρ0 and depends only on the form of the incident beam. To obtain a formula for this invariant shape, we cannot use geometrical optics for the largeρ0 asymptotics. The reason is that although eq. (7.1) is a good approximation to A− , it fails for the function A+ that determines the rings, because the ray contribution comes from the neighbourhood of the end-point κ = 0 of the integrals. So, although the Bessel functions can still be replaced by their asymptotic forms, the stationary-phase approximation is invalid. Near the rings, with

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�ρ ≡ ρ − ρ0 ,

(7.5)

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1 A+rings = √ f (�ρ, ζ ), ρ

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(7.6)

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where f (�ρ, ζ ) =

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Bessel asymptotics gives A+ as

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2 π

�∞ 0

� � � � √ 1 1 dκ κa(κ) cos κ�ρ − π exp − iκ 2 ζ . 4 2

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(7.7)

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In the focal image plane ζ = 0, f can be evaluated analytically for a pinhole incident beam, in terms of elliptic integrals E and K. With the conventions in Mathematica (Wolfram [1996]),

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f0p (�ρ) ≡ f (�ρ, 0) ⎧ √ � � � �� � ⎪ 2 �ρ 2 2 2 � ⎪ ⎪ 1 − �ρE + K √ ⎪ ⎪ π 1 − �ρ 1 − �ρ ⎪ 1 − �ρ ⎪ ⎪ ⎪ ⎪ −1), ⎨ �(�ρ < � � � �� 1 1 = 2 ⎪ −K (1 − �ρ) + 2E (1 − �ρ) ⎪ ⎪ π 2 2 ⎪ ⎪ ⎪ ⎪ (|�ρ| < 1), ⎪ ⎪ ⎪ ⎩ 0 (�ρ > 1).

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(7.8)

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Figure 10(a) shows the corresponding intensity. To our knowledge, this unusual focused image has not been seen in any experiment.

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[2.8]  217 2, § 7]

Consequences of conical diffraction theory

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Fig. 10. Intensity functions f02 (�ρ) of rings in the focal image plane, for (a) a circular pinhole (7.8), and (b) a Gaussian beam (7.9).

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For a Gaussian beam, the focal image can be expressed in terms of Bessel functions: f0g (�ρ) ≡ f (�ρ, 0)

      |�ρ|3/2 exp − 14 �ρ 2 1 2 1 2 K3 �ρ + sgn �ρK 1 �ρ = √ 4 4 4 4 2 2π      √ 1 2 1 2 + π 2�(−�ρ) I 3 (7.9) �ρ − I 1 �ρ . 4 4 4 4

Figure 10(b) shows the corresponding intensity, and fig. 11 shows how the approximation f0g gets better as ρ0 increases. The focal image functions f0p and f0g have been discussed in detail by Belsky and Stepanov [1999], Berry [2004b] and Warnick and Arnold [1997]; of several equivalent representations, eqs. (7.8) and (7.9) are the most convenient. Away from the focal image plane, that is as ζ increases from zero, secondary rings develop, in the form of oscillations within the inner bright ring [the solid curves in fig. 12(b–e)]; these were discovered in numerical computations by Warnick and Arnold [1997]. Using asymptotics based on eq. (7.7), the secondary

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[2, § 7

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Fig. 11. Ring intensity in the focal image plane for a Gaussian incident beam, calculated exactly (solid curves), and in the local approximation (7.6) and (7.9) (dashed curves), for (a) ρ0 = 5; (b) ρ0 = 10; √ (c) ρ0 = 20. [The divergences at ρ = 0 for the approximate rings come from the factor 1/ ρ in eq. (7.6).]

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rings can be interpreted as interference between a geometrical ray and a wave scattered from the diabolical point in k space (Berry [2004b]); the associated mathematics led to a surprising general observation in the asymptotics of competing exponentials (Berry [2004a]). All the features so far discussed are displayed in the simulated image and cutaway in fig. 13, which can be regarded as a summary of the main results of conical diffraction theory. The parameters (ρ0 = 20, ζ = 8) are chosen to display the two bright rings, the Poggendorff dark ring, the nascent Raman spot (whose intensity will increase for larger ζ ), and the secondary rings.

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[2.8]  219 2, § 7]

Consequences of conical diffraction theory

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Fig. 12. Intensity for a Gaussian incident beam for ρ0 = 20 and (a) ζ = 1; (b) ζ = 4; (c) ζ = 6; (d) ζ = 8; (e) ζ = 10; (f) ζ = 20. Solid curves: exact theory; dashed curves: refined geometrical-optics theory (7.13).

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As ζ increases further, the inner rings approach the Raman spot [solid curves in fig. 12(e,f)], and are then described by Bessel functions (Berry [2004b]):  2      ρ0 π 1 ρ0 ρρ0 B0 (ρ, ζ ; ρ0 ) ≈ ρ0 exp i − π a J0 , 2ζ 4 ζ ζ 2ζ 3  2       ρ0 π 3 ρ0 ρρ0 B1 (ρ, ζ ; ρ0 ) ≈ ρ0 exp i − π a J1 , 2ζ 4 ζ ζ 2ζ 3

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(7.10)

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approximates the true intensity. The weak oscillations (shoulders at zeros of J1 (ρρ0 /ζ )) are the result of interference involving the next large-ρ0 correction term to the geometrical-optics approximation (7.1).

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(ρ � ρ0 , ζ � 1).

Figure 14 illustrates how well the approximation J02 +J12

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Fig. 13. (a) Density plot and (b) cutaway 3D plot, of conical diffraction intensity for ρ0 = 20, ζ = 8, showing bright rings B, Poggenforff dark ring P, Raman spot R and secondary rings S.

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In the important special case of a Gaussian incident beam, the conical diffraction integrals (6.11) for general ζ can be obtained by complex continuation from the focal image plane ζ = 0. This useful simplification is a variant of the complexsource trick of Deschamps [1971]. It is based on the observation       1 1 1 exp − κ 2 exp − iκ 2 ζ = exp − κ 2 (1 + iζ ) , 2 2 2

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[2.8]  221 2, § 8]

Experiments

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(7.12)

In geometrical optics, the same trick leads to a further refinement, incorporating a(κ) into the stationary-phase approximation (so that the rays are complex):

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A+geom1 √   |ρ0 − ρ| (ρ0 − ρ)2 = exp iζ √ (ζ − i) ρ 2(ζ 2 + 1)     (ρ0 − ρ)2 1 if ρ < ρ0 , × × exp − −i if ρ > ρ0 2(ζ 2 + 1)     √ ρ0 + ρ (ρ0 + ρ)2 (ρ0 + ρ)2 A−geom1 = −i exp − . √ exp iζ (ζ − i) ρ 2(ζ 2 + 1) 2(ζ 2 + 1)

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Figure 12 shows how accurately this reproduces the oscillation-averaged rings and the Raman spot when ζ is not small. Near the focal plane, however, the geometrical approximation is only rough, even though the refinement eliminates the singularity at ζ = 0.

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§ 8. Experiments

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and leads to   1 ρ ρ0 B0,1 (ρ, ζ ; ρ0 ) = B0,1 √ , 0, √ . 1 + iζ 1 + iζ 1 + iζ

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Experimental studies of conical refraction are few, probably because of the difficulty of finding, or growing, crystals of sufficient quality and thickness. Table 1

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lists the investigations known to us. We have already mentioned the pioneering observations of Lloyd, Poggendorff, Potter and Raman. Lloyd [1837] stated that he used several pinholes, but gave only the size of the largest (which he used as a way of measuring A), so we do not know the values of w, and hence ρ0 , corresponding to his rings. Poggendorff [1839] gave no details of his experiment, except that it was performed with aragonite. Potter [1841] gave a detailed description of his experiments with aragonite, but misinterpreted his observation of the double ring as evidence against the diabolical connection of the sheets of the wave surface, leading to polemical criticisms of Hamilton and Lloyd. Raman, Rajagopalan and Nedungadi [1941] chose naphthalene, whose crystals have a large cone angle A and which they could grow in sufficient thickness. They emphasize that they did not see the Poggendorff dark ring in their most sharply focused images; but in the focal image plane the two bright rings are very narrow (comparable with w ≈ 0.5 µm), so they might not have resolved them. Schell and Bloembergen [1978a] compared measured ring profiles with numerically integrated wave theory and with the stationary-phase (geometrical optics) approximation, in a plane corresponding to the exit face of their aragonite crystal. From the data in Table 1, it follows that this corresponds to ζ ≈ 1.3, a regime in which there is no central spot and no secondary rings, and, as they report, geometrical optics is a reasonable approximation. Perkal’skis and Mikhailychenko [1979] and Mikhailychenko [2005] report large-scale demonstrations of internal and external conical refraction with rhombic sulfur. In an ingenious investigation, Fève, Boulanger and Marnier [1994] used KTP in the form of a ball rather than a slab. The theory of Section 6 applies, provided the parameters are interpreted as follows:   d ρ0 → ρball = ρ0 1 − 2(n2 − 1) , l l + d(2 − n2 ) ζ → ζball = (8.1) , n2 kw 2 where l is the diameter of the ball and d is the distance between the exit face of the ball and the observation plane. In this case, a cone emerges from the ball, giving rings whose radius wρball depends on d; the radius vanishes at a point, close to the ball, where the generators of the cone (that is, the rays) cross. They obtain good agreement between the measured ring profile and the geometrical-optics intensity, which is a good approximation in their regime of enormous effective ρ0 and relatively modest ζ (Table 1). The many wave-optical and geometrical-optical phenomena predicted by the detailed theory of conical diffraction have recently been observed by Berry, Jef-

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[2.8]  223 2, § 9]

Concluding remarks

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Fig. 15. Theoretical and experimental images for a monoclinic double tungstate crystal illuminated by a Gaussian beam (Berry, Jeffrey and Lunney [2006]), for ρ0 = 60. (a,b) ζ = 3; (c,d) ζ = 12; (e,f) ζ = 30; (a,c,e) theory; (b,d,f) experiment.

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§ 9. Concluding remarks

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frey and Lunney [2006] in a crystal of the monoclinic double tungstate material KGd(WO4 )2 , obtained from Vision Crystal Technology (VCT [2006]). The agreement, illustrated in figs. 15 and 16, is quantitative as well as qualitative. Their measurements confirm predictions for the ζ -dependence of the radii and separation of the main rings, and of the sizes of the interference fringes: the secondary rings decorating the inner bright ring, and the rings decorating the Raman spot.

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Although conical diffraction exemplifies a fundamental feature of crystal optics, namely the diabolical point, it can also be regarded as a curiosity, because the effect seems to occur nowhere in the natural universe, and no practical application seems to have been found. To forestall confusion, we should immediately qualify these assertions. It is Hamilton’s idealized geometry (collimated beam, parallel-sided crystal slab, etc.) that does not occur in nature. In generic situations, for example an anisotropic medium that is also inhomogeneous, it is likely for a ray to encounter a

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Fig. 16. As fig. 15, with (a) ζ = 3; (b) ζ = 12; (c) ζ = 30. Solid curves: theory; dashed curves: angular averages of experimental images. (After Berry, Jeffrey and Lunney [2006].)

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point where its direction is locally diabolical, corresponding to a local refractiveindex degeneracy (Naida [1979]); or, in quantum mechanics, a coupled system with fast and slow components (e.g., a molecule) can encounter a degeneracy of the adiabatically evolving fast sub-system. In understanding such generic situations, the analysis of the idealized case will surely play a major part. On the practical side, it is possible that the bright cylinder of conical refraction can be applied to trap and manipulate small particles; this is being explored, but the outcome is not yet clear. And a related phenomenon associated with the diabolical point, namely the conoscopic interference figures seen under polarized

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Acknowledgements

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illumination of very thin crystal plates, is a well-established identification technique in mineralogy (Liebisch [1896]). As we have tried to explain, our understanding of the effect predicted by Hamilton is essentially complete. We end by describing several generalizations that are less well understood. Although the theory of Section 6 applies to any paraxial incident beam, detailed explorations have been restricted to pinhole and Gaussian beams. A start has been made by King, Hogervorst, Kazak, Khilo and Ryzhevich [2001] and Stepanov [2002] in the exploration of other types of beam, for example Laguerre–Gauss and Bessel beams. A further extension is to materials that are chiral (optically active) as well as biaxially birefringent. This alters the mathematical framework, because chirality destroys the diabolical point by separating the two sheets of the wave surface, reflecting the change of the dielectric matrix from real symmetric to complex Hermitian. There have been several studies incorporating chirality (Belsky and Stepanov [2002], Schell and Bloembergen [1978b], Voigt [1905b]), leading to the recent identification of the central new feature: the bright cylinder of conical refraction is replaced by a ‘spun cusp’ caustic (Berry and Jeffrey [2006a]). So far this has not been seen in any experiment. The introduction of anisotropic absorption (dichroism) brings a more radical change: each diabolical point splits into two branch-points, reflecting the fact that the dielectric matrix is now non-Hermitian (Berry [2004c], Berry and Dennis [2003]). The dramatic effects of absorption on the pattern of emerging light have been recently described by Berry and Jeffrey [2006b]. The combined effects of dichroism and chirality have been described by Jeffrey [2007]. The final generalization incorporates nonlinearity. Early results were reported by Schell and Bloembergen [1977] and Shih and Bloembergen [1969], and the subject has been revisited by Indik and Newell [2006].

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Acknowledgements Our research is supported by the Royal Society. We thank Professor Alan Newell for permission to reproduce the argument in Appendix 2.

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Appendix 1: Paraxiality

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The paraxial approximation requires small angles, equivalent to replacing cos θ by 1 − θ 2 /2, that is, to assuming θ 4 /24 � 1 for all wave deflection angles θ . In

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[2, § 9

conical refraction, deflections are determined by the half-angle of the ray cone, which from eq. (3.7) is    1 A = arctan n22 αβ . (A.1) 2 This is indeed small in practice, because of the near-equality of the three refractive indices. For the Lloyd [1837] experiment on aragonite, the Berry, Jeffrey and Lunney [2006] experiment on MDT, and the Raman, Rajagopalan and Nedungadi [1941] experiment on naphthalene (whose cone angle is the largest yet reported), the data in Table 1 give 1 4 = 3.3 × 10−9 , A 24 Lloyd 1 4 = 9.1 × 10−9 , A (A.2) 24 Berry 1 4 = 8.5 × 10−6 . A 24 Raman As is often emphasized, internal and external conical refraction are associated with different aspects of the geometry of the wave surface. But in the paraxial regime the difference between the cone angles (A and Aext respectively) disappears. To explore this, we first note that (Born and Wolf [1999])    1 Aext = arctan n1 n3 αβ . (A.3) 2 In terms of the refractive-index differences n 2 − n1 n 3 − n2 μ1 ≡ (A.4) , μ3 ≡ , n2 n2 we have, to lowest order, √ A ≈ Aext ≈ μ1 μ3 , (A.5) which is proportional to the refractive-index differences. The difference between the angles is    1 √ A − Aext ≈ μ1 μ3 μ1 − μ3 + 3μ21 − 2μ1 μ3 + 3μ23 , (A.6) 4 which is proportional to the square of the index differences, except when the two differences are equal, when it is proportional to the cube. For the aragonite, MDT and naphthalene experiments, ALloyd − Aext,Lloyd = 8.9 × 10−2 ALloyd ,

ABerry − Aext,Berry = −4.4 × 10−3 ABerry ,

ARaman − Aext,Raman = −2.7 × 10−4 ARaman .

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Appendix 2: Conical refraction and analyticity

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We seek the paraxial differential equation for the evolution of the wave inside the crystal. Within the framework of Section 6, the wave can be described by setting z = l and regarding ζ = l/k0 w 2 as a variable, enabling the evolution operator (6.2) and (6.3) to be written as    1 2 (B.1) U(κ) = exp −iζ κ 1+Γκ ·S , 2

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References

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Belsky, A.M., Khapalyuk, A.P., 1978, Internal conical refraction of bounded light beams in biaxial crystals, Opt. Spectrosc. (USSR) 44, 436–439. Belsky, A.M., Stepanov, M.A., 1999, Internal conical refraction of coherent light beams, Opt. Commun. 167, 1–5. Belsky, A.M., Stepanov, M.A., 2002, Internal conical refraction of light beams in biaxial gyrotropic crystals, Opt. Commun. 204, 1–6. Berry, M.V., 1983, Semiclassical Mechanics of regular and irregular motion, in: Iooss, G., Helleman, R.H.G., Stora, R. (Eds.), Les Houches Lecture Series, vol. 36, North-Holland, Amsterdam, pp. 171–271. Berry, M.V., 1984, Quantal phase factors accompanying adiabatic changes, Proc. Roy. Soc. Lond. A 392, 45–57. Berry, M.V., 2001, Geometry of phase and polarization singularities, illustrated by edge diffraction and the tides, in: Soskin, M. (Ed.), Singular Optics 2000, vol. 4403, SPIE, Alushta, Crimea, pp. 1– 12. Berry, M.V., 2004a, Asymptotic dominance by subdominant exponentials, Proc. Roy. Soc. A 460, 2629–2636. Berry, M.V., 2004b, Conical diffraction asymptotics: fine structure of Poggendorff rings and axial spike, J. Optics A 6, 289–300. Berry, M.V., 2004c, Physics of nonhermitian degeneracies, Czech. J. Phys. 54, 1040–1047. Berry, M.V., Dennis, M.R., 2003, The optical singularities of birefringent dichroic chiral crystals, Proc. Roy. Soc. A 459, 1261–1292. Berry, M.V., Dennis, M.R., Lee, R.L.J., 2004, Polarization singularities in the clear sky, New J. of Phys. 6, 162. Berry, M.V., Jeffrey, M.R., 2006a, Chiral conical diffraction, J. Opt. A 8, 363–372. Berry, M.V., Jeffrey, M.R., 2006b, Conical diffraction complexified: dichroism and the transition to double refraction, J. Opt. A 8, 1043–1051. Berry, M.V., Jeffrey, M.R., Lunney, J.G., 2006, Conical diffraction: observations and theory, Proc. R. Soc. A 462, 1629–1642. Berry, M.V., Jeffrey, M.R., Mansuripur, M., 2005, Orbital and spin angular momentum in conical diffraction, J. Optics A 7, 685–690. Berry, M.V., Wilkinson, M., 1984, Diabolical points in the spectra of triangles, Proc. Roy. Soc. Lond. A 392, 15–43. Born, M., Wolf, E., 1999, Principles of Optics, seventh ed., Pergamon, London. Cederbaum, L.S., Friedman, R.S., Ryaboy, V.M., Moiseyev, N., 2003, Conical intersections and bound molecular states embedded in the continuum, Phys. Rev. Lett. 90, 013001-1-4. Chu, S.Y., Rasmussen, J.O., Stoyer, M.A., Canto, L.F., Donangelo, R., Ring, P., 1995, Form factors for two-neutron transfer in the diabolical region of rotating nuclei, Phys. Rev. C 52, 685–696. Deschamps, G.A., 1971, Gaussian beam as a bundle of complex rays, Electronics Lett. 7, 684–685. Ferretti, A., Lami, A., Villani, G., 1999, Transition probability due to a conical intersection: on the role of the initial conditions of the geometric setup of the crossing surfaces, J. Chem. Phys. 111, 916–922. Fève, J.P., Boulanger, B., Marnier, G., 1994, Experimental study of internal and external conical refraction in KTP, Opt. Commun. 105, 243–252. Graves, R.P., 1882, Life of Sir William Rowan Hamilton, vol. 1, Hodges Figgis, Dublin. Hamilton, W.R., 1837, Third Supplement to an Essay on the Theory of Systems of Rays, Trans. Royal Irish Acad. 17, 1–144. Herzberg, G., Longuet-Higgins, H.C., 1963, Intersection of potential-energy surfaces in polyatomic molecules, Disc. Far. Soc. 35, 77–82.

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Indik, R.A., Newell, A.C., 2006, Conical refraction and nonlinearity, Optics Express 14, 10614– 10620. Jeffrey, M.R., 2007, The spun cusp complexified: complex ray focusing in chiral conical diffraction, J. Opt. A. 9, 634–641. King, T.A., Hogervorst, W., Kazak, N.S., Khilo, N.A., Ryzhevich, A.A., 2001, Formation of higherorder Bessel light beams in biaxial crystals, Opt. Commun. 187, 407–414. Lalor, E., 1972, An analytical approach to the theory of internal conical refraction, J. Math. Phys. 13, 449–454. Landau, L.D., Lifshitz, E.M., Pitaevskii, L.P., 1984, Electrodynamics of Continuous Media, Pergamon, Oxford. Liebisch, T., 1896, Grundriss der Physikalischen Krystallographie, Von Veit & Comp, Leipzig. Lloyd, H., 1837, On the phenomena presented by light in its passage along the axes of biaxial crystals, Trans. R. Ir. Acad. 17, 145–158. Ludwig, D., 1961, Conical refraction in crystal optics and hydromagnetics, Comm. Pure. App. Math. 14, 113–124. Lunney, J.G., Weaire, D., 2006, The ins and outs of conical refraction, Europhysics News 37, 26–29. Mead, C.A., Truhlar, D.G., 1979, On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei, J. Chem. Phys. 70, 2284–2296. Mikhailychenko, Y.P., 2005, Large scale demonstrations on conical refraction, http://www.demophys. tsu.ru/Original/Hamilton/Hamilton.html. Naida, O.N., 1979, “Tangential” conical refraction in a three-dimensional inhomogeneous weakly anisotropic medium, Sov. Phys. JETP 50, 239–245. Newell, A., 2005. Private communication. Nussenzveig, H.M., 1992, Diffraction Effects in Semiclassical Scattering, University Press, Cambridge. Nye, J.F., 1999, Natural Focusing and Fine Structure of Light: Caustics and Wave Dislocations, Institute of Physics Publishing, Bristol. O’Hara, J.G., 1982, The prediction and discovery of conical refraction by William Rowan Hamilton and Humphrey Lloyd (1832–1833), Proc. R. Ir. Acad. 82A, 231–257. Perkal’skis, B.S., Mikhailychenko, Y.P., 1979, Demonstration of conical refraction, Izv. Vyss. Uch. Zav. Fiz. 8, 103–105. Poggendorff, J.C., 1839, Ueber die konische Refraction, Pogg. Ann. 48, 461–462. Potter, R., 1841, An examination of the phaenomena of conical refraction in biaxial crystals, Phil. Mag. 8, 343–353. Raman, C.V., 1941, Conical refraction in naphthalene crystals, Nature 147, 268. Raman, C.V., Rajagopalan, V.S., Nedungadi, T.M.K., 1941, Conical refraction in naphthalene crystals, Proc. Ind. Acad. Sci. A 14, 221–227. Schell, A.J., Bloembergen, N., 1977, Second harmonic conical refraction, Opt. Commun. 21, 150–153. Schell, A.J., Bloembergen, N., 1978a, Laser studies of internal conical diffraction. I. Quantitative comparison of experimental and theoretical conical intensity dirstribution in aragonite, J. Opt. Soc. Amer. 68, 1093–1098. Schell, A.J., Bloembergen, N., 1978b, Laser studies of internal conical diffraction. II. Intensity patterns in an optically active crystal, α-iodic acid, J. Opt. Soc. Amer. 68, 1098–1106. Shih, H., Bloembergen, N., 1969, Conical refraction in second harmonic generation, Phys. Rev. 184, 895–904. Silverman, M., 1980, The curious problem of spinor rotation, Eur. J. Phys. 1, 116–123. Soskin, M.S., Vasnetsov, M.V., 2001, Singular optics, in: Progress in Optics, vol. 42, North-Holland, Amsterdam, pp. 219–276. Stepanov, M.A., 2002, Transformation of Bessel beams under internal conical refraction, Opt. Commun. 212, 11–16.

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Uhlenbeck, K., 1976, Generic properties of eigenfunctions, Am. J. Math. 98, 1059–1078. Uhlmann, A., 1982, Light intensity distribution in conical refraction, Commn. Pure. App. Math. 35, 69–80. van de Hulst, H.C., 1981, Light Scattering by Small Particles, Dover, New York. VCT, 2006, Home page of Vision Crystal Technology, http://www.vct-ag.com/. Voigt, W., 1905a, Bemerkung zur Theorie der konischen Refraktion, Phys. Z. 6, 672–673. Voigt, W., 1905b, Theoretisches unt Experimentelles zur Aufklärung des optisches Verhaltens aktiver Kristalle, Ann. Phys. 18, 645–694. Von Neumann, J., Wigner, E., 1929, On the behavior of eigenvalues in adiabatic processes, Phys. Z. 30, 467–470. Warnick, K.F., Arnold, D.V., 1997, Secondary dark rings of internal conical refraction, Phys. Rev. E 55, 6092–6096. Wolfram, S., 1996, The Mathematica Book, University Press, Cambridge.

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It is 200 years since Thomas Young performed his famous double-slit experiment but the interference of waves that weave rich tapestries in space and space–time continues to provide deep insights into geometrical optics and semi-classical limits

Quantum carpets, carpets of light Michael Berry, Irene Marzoli and Wolfgang Schleich IN 1836 Henry Fox Talbot, an inventor 1 Talbot and his diffraction effect of photography, published the results of b some experiments in optics that he had a incident light previously demonstrated at a British Association meeting in Bristol (figure 1a). “It was very curious to observe that though the grating was greatly out of grating the focus of the lens…the appearance z=0 a of the bands was perfectly distinct and well defined…the experiments are com(1/7)z T municated in the hope that they may prove interesting to the cultivators of optical science.” Talbot made his remarkable observa(1/3)z T tion as he inspected a coarsely ruled diffraction grating, illuminated with white light, through a magnifying lens. With the lens held close to the grating, the rul(3/5)z T ings appeared in sharp focus, as expected. Moving the lens away, so that the grating was no longer in focus, the (7/9)z T images should have become blurred but instead remained sharp. Moreover, the images consisted of alternating bands, z = zT the complementary colours (e.g. red and green) of which depended on the dis- (a) Henry Fox Talbot (1800–1877) (Picture courtesy of The National Trust and the Fox Talbot Museum and kindly supplied by Michael Gray). (b) The Talbot effect from a Ronchi grating – a grating that has equally tance of the lens from the grating. transparent and opaque slits. The intensity pattern at the grating (z = 0) is reconstructed at the As the lens receded further, the se- spaced Talbot distance z = z but is shifted by half a period. The images that can be viewed with the aid of a lens quence of colours repeated several times (not shown) occur atTintermediate distances given by rational fractions p/q of zT. These “fractional Talbot over a distance of the order of metres. images” consist of q overlapping copies of the grating; several values of p/q are illustrated here. With monochromatic light, the rulings Neighbouring images are shifted by a/q, and coherently superposed with phases given by the Gauss of the grating first appeared blurred, sums of number theory (see box). as expected, but then mysteriously reappeared in sharp focus at multiples of a particular distance, a is the slit spacing of the grating and λ is the wavelength of the light. For red light with a wavelength of 632.8 nm and a zT (figure 1b). grating with 50 slits per inch (a = 0.508 mm) the Talbot disForgotten for decades tance is 407.8 mm. Rayleigh pointed out that the Talbot This “Talbot effect” – the repeated self-imaging of a diffrac- effect could be employed practically to reproduce diffraction tion grating – was forgotten for nearly half a century until it gratings of different sizes by exposing photographic film to a was rediscovered by Lord Rayleigh in 1881. Rayleigh showed Talbot-reconstructed image of an original grating. Then the that the so-called Talbot distance, zT, is given by a 2/λ, where Talbot effect was forgotten again. PHYSICS WORLD

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‘Quantum carpets, carpets of light’ by Berry, M. V., Marzoli, I., & Schleich, W., 2001, Physics World (June), 3944. © IOP Publishing. Reproduced with permission. All rights reserved.

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Quantum carpets, i.e. plots of probability density, for the propagation of a Gaussian wavepacket in a 1-D box with length x = 1.The horizontal axes are the coordinate x and the vertical axes are t/Tr where t is time and Tr is the revival time. (a) One period of the quantum carpet; (b) magnification of (a) for short times, showing the initial packet bouncing in the box as it spreads; (c) magnification near Tr /2, showing fractional revival of two copies of the initial packet. The intensity increases with brightness and saturation, and is colour-coded with hue (maxima represented by red). These carpets are calculated using the equation in the box, for w = 1/10, k = 20 (thus giving a classical period Tc = Tr /20).

Recent investigations have revealed that the Talbot effect is far more than a mere optical curiosity. First, the effect is one of a class of phenomena involving the extreme coherent interference of waves. Second, these phenomena have deep and unexpected roots in classical number theory. And third, they illustrate something we are starting to appreciate more and more, namely the rich and intricate structure of limits in physics. And who was Talbot? He is best known for his invention of photography, independently of French physicist LouisJacques-Mandé Daguerre, rather than the physics of diffraction gratings. And it is Talbot’s process, involving a negative from which many positive copies can be made, that we use in all non-digital photography today. But Talbot did much more: as an English landowner and parliamentarian, he ran the family estate at Lacock; he was one of the inventors of the polarizing microscope that has been indispensable to mineralogists; he proved theorems about elliptic integrals; and he contributed to the transcription of Syrian and Chaldean inscriptions. Quantum revivals There is a phenomenon in quantum physics that is closely related to the Talbot effect. A quantum wave packet – representing an electron in an atom, for example – can be constructed from a superposition of highly excited stationary states so that it is localized near a point on the electron’s classical orbit. If the packet is released, it starts to propagate around the orbit. This propagation is guaranteed by the correspondence principle: for highly excited states, quantum and classical physics must agree. The packet then spreads along the orbit, and eventually fills it. (It also spreads transversely – that is away from the orbit – but that is not important in this context.) Over very long periods of time, however, something extraordinary happens: the wave packet contracts and after a time, Tr, returns from the dead and reconstructs its initial form. This is a quantum revival. As time goes on, the revivals repeat. In a wide class of circumstances, the reconstructions are almost perfect. In the Talbot effect, the pattern of intensity is doubly peri2

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odic, both across the grating and as a function of distance from the grating. Similarly, for quantum revivals the probability density is both periodic around the nucleus and as a function of the time evolution of the wave packet. These periodicities are the result of coherent interference. Rayleigh understood this for gratings (where the interference is between the wavelets from the different slits), and there is a similar result for revivals. For a packet consisting of hydrogen-like states close to the nth energy level, En, the revival time is of the order of nTc, where Tc = hn3/2E1 is the orbital period of a classical electron and h is Planck’s constant. Because of these periodicities, the intensities can be depicted as repeating patterns in the plane that resemble exotic carpets or alien landscapes (figures 2 and 3). Arithmetic Now comes the number theory. In addition to the reconstructed Talbot images at z = zT and quantum revivals at t = Tr, there are more complicated reconstructions at fractional multiples of the Talbot distance and the revival time. The Talbot image at distance ( p/q)zT is a superposition of q copies of the initial grating separated by a/q (figure 1b). Thus if p/q = 3/5, there are five superposed images. This is the fractional Talbot effect. And the quantum wave at time ( p/q)Tr is a superposition of q copies of the initial wave packet, separated by an angular distance 2π/q. These are the fractional revivals. At the heart of the rather complicated mathematical explanation of this remarkable phenomenon is the simple identity (–1)n = (–1)n, where n is an integer that labels the contributing wavelets. The application of this identity greatly simplifies the sums over the contributing wavelets. Each image in a reconstruction has the same amplitude, 1/√q, and its phase is given by beautiful sums discovered by Gauss at the end of the 18th century (see box). In words, the phase of the nth image is the direction of the resultant vector when q unit vectors are added in the complex plane. The angle between the first pair of vectors is 2πn/q (plus a constant that does not depend on n) and decreases by 2πp/q for each successive pair. The rich patterns of the carpets originate in the complicated patterns of 2

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the phases of the Gauss sums (figure 4). On closer inspection, diagonal “canals” can be seen crisscrossing the carpets. In Talbot carpets, the canals are minima of intensity that are correlated between neighbouring image planes. In quantum carpets, they are space–time structures corresponding to features of the wave that move at fixed velocities (unrelated to the speed of the classical packet). The canals can be understood in several equivalent ways: in terms of destructive interference between positive- and negativeorder diffracted beams (that is Fourier components of the patterns); by the transverse structures that remain after averaging along the anticipated directions of the canals; and by arguments involving position and momentum simultaneously (through the evolution of Wigner functions in phase space). Fractal carpets Both Talbot and quantum carpets can have intricate fine structure. Consider the case where the transparency of the grating is discontinuous, as it is in the Ronchi grating where the rulings consist of sharp opaque and transparent bars. Alternatively imagine that the quantum wave is discontinuous, as for a particle in a box where the initial wave amplitude plummets to zero at the walls, even though it varies smoothly inside the box. In Talbot terminology the reconstructed images in the plane z = ( p/q)zT consist of q superposed copies of the grating, complete with discontinuities. Although there is an infinite number of images at fractional distances, they still represent an infinitesimal subset of all possible images. What happens in planes that are irrational fractions of the Talbot distance, for example zT/√2? The light intensity is then a fractal function of distance x across the image. To be precise, this means that the graph of intensity as a function of x, regarded as a curve in the plane, is continuous but not differentiable. In other words, although the intensity has a definite value at every point, the curve has no definite slope and so is infinitely jagged. Such curves are described as having a “fractal dimension”, D, between one (corresponding to a smooth curve) and two (corresponding to a curve so irregular that it occupies a finite area). Carpets generated by Ronchi gratings, for example, have a fractal dimension of 3/2 (figure 5). PHYSICS WORLD

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0.2 0.2 0 0.2 0.4 0.4 0 x/a (a) A carpet of light from a Ronchi grating. A density plot of Talbot intensity in a single period transversely (across the grating) and longitudinally (along the direction of the incident light). The colour coding is the same as in figure 2. Note that the grating and associated interference patterns have reappeared at z = zT but shifted by a half-period. (b) The mountains of Talbot. A visualization of the intensity in (a) as a surface. 0

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Carpets are functions of the longitudinal coordinate z (along the propagation direction) as well as the transverse coordinate x, so the wave intensities can be plotted as surfaces on the x–z plane (see figure 3b, for example). What is the fractal dimension of these Talbot or quantum landscapes? As these landscapes are surfaces, they have a dimension that takes a value between two and three. For a surface where all directions are equivalent, the dimension of the surface is one greater than the dimension, D, of a curve that cuts through it. For a Talbot landscape, where the fractal image curves have D = 3/2, we might expect the dimension to be 1 + 3/2 = 5/2. But Talbot landscapes are not isotropic. For fixed x, the intensity also varies as a function of distance z from the grating, with a fractal dimension of 7/4 (figure 5). Therefore the longitudinal fractals are more irregular than the transverse ones. Finally, the intensity is more regular along the diagonal canals because of the cancellation of large Fourier components and has fractal dimension of 5/4 (figure 5). The landscape is dominated by the largest of these fractal dimensions, and so is a surface with dimension 1 + 7/4 = 11/4. This fractal structure also applies to the evolving wave from a particle in a box with uniform initial wave amplitude. There are space fractals (varying x with constant t ), where the graph of the probability density has D = 3/2; time fractals (varying t with constant x), where the graph of the probability density has D = 7/4; and space–time fractals (along the diagonal canals), where D = 5/4. Some of these results about fractals can be generalized to waves evolving in enclosures of any dimensions, even with shapes that do not give rise to revivals, provided the initial state is discontinuous, even if only at the boundary. Asymptotic physics There is, however, a sense in which the carpets – at least as we have described them – are fictions. Like all calculations in physics, they rely on approximations that are valid only in certain limiting circumstances. For a start, the perfect Talbot reconstructions, and the ideal fractals in the case of gratings with sharp-edged slits, depend on the illuminating wave being perfectly plane and infinite in extent.

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Formulas used to calculate quantum revivals and carpets

Obviously this is not true in practice, and corrections can be calculated. For N ● Quantum revivals (figure 2): for an initial packet with width w starting from x = 1/2 and with illuminated slits, the finest details of the momentum k, the wave is (up to a constant factor) reconstructed images and of the fractals ∞ are blurred transversely by ∆x ~ a/N and ψ =l=Σ–∞ (–i) l sin(πlx)exp [– 1/2 π2w2(l – k)2–iπ l 2 t/Tr] longitudinally (i.e. in the depth of focus ● Talbot carpet (figures 1b, 3 and 5): the wave from a Ronchi grating is of Talbot images) by ∆z ~ zT/N 2. More fundamental is the fact that the ∞ finite wavelength of the light, λ, must ψ = 1/2 +(2/π) Σ (–1)k cos[2π(2k+1)x/a] exp[–iπ(2k +1)2 z/zT ]/(2k +1) k=0 limit the fine detail in the optical field, so that even with infinitely many slits the ● Talbot carpet (figure 6): the wave from a phase grating producing a sinusoidal wavefront with amplitude H is images would still be blurred. Perfect reconstruction is an artefact of ∞ the paraxial approximation, in which the ψ =n =Σ–∞ i n Jn(2H/λ)exp[iπ(2nx/a– n2 z/z T)] deflections θ of all relevant diffracted beams are assumed to be small, so that where the Jn are Bessel functions. cosθ ~ 1– θ2/2. Deviations from this approximation get smaller as the ratio ● Gauss sums (figure 4): For the nth superposed Talbot image at distance z = (p/q)zT, the λ/a decreases, that is in the short-wave phase is χ(n;p,q), defined by limit, or for coarse gratings. The blurring q 2 in both the transverse and longitudinal exp [iχ(n;p,q)] = 1 sΣ exp (iπ {–s p/q+ s[2n/q+ e(p)] }) q =1 directions is of the order of √(aλ). However, the blurring in z is much smaller where e(p) = 0 if p is even and e(p) = 1 if p is odd. relative to the periodicity in the pattern because the detail is stretched over the Talbot distance, which greatly exceeds the slit spacing. Paradoxical limits These blurrings should not be confused with the more Quantum and optical carpets provide a dramatic illustration familiar Fresnel diffraction of light from a single edge of a slit, of how limits in physics that seem familiar can in fact be comwhich would be of order a in the transverse direction at plicated and subtle. It is no exaggeration to say that perfect z = zT. An alternative way to state the Talbot effect is that the Talbot images, and infinite detail in the Talbot fractals, are Fresnel blurring from the edges of all the slits is cancelled by emergent phenomena: they emerge in the paraxial limit as the coherent interference of the waves. λ/a approaches zero. In the quantum case, the perfection of the revivals is At first this seems paradoxical, because the short-wave degraded by an effect that seems different but is mathemati- approximation is usually regarded as one in which interfercally very similar. Analogous to the paraxial approximation is ence can be neglected, whereas the Talbot effect depends the assumption that the energy can be approximated by entirely on interference. The paradox is dissolved by noting terms that are both linear and quadratic functions of the that the Talbot distance increases as the wavelength apquantum number n, over the range of energies included in proaches zero, so here we are dealing with the combined limit the initial state. (If the variation were merely linear, then the of short wavelength and long propagation distance: in the wave packet would not spread at all.) short-wavelength limit, the Talbot reconstructed images In the case of a non-relativistic particle in a box, the revivals recede to infinity. are perfect because the variation in energy is quadratic. HowIn a similar way, perfect quantum revivals emerge from the ever, quadratic variation only approximately describes an semi-classical limit of highly excited states. Again it might electron in an atom: the approximation is semi-classical, that is seem paradoxical that an interference effect persists in a semiit gets better as the quantum number, n, corresponding to the classical limit (and indeed emerges perfectly in that limit). central energies in the packet increases. Non-quadratic cor- The dissolution of the paradox is analogous to that in the rections to the spectrum degrade the revivals, in ways that are Talbot case: the semi-classical limit here is combined with the now well understood. long time limit (recall that Tr ~ nTc ), so the revivals occur in 4

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the infinite future. Even within the paraxial approximation, a clash of limits can generate very rich phenomena. Consider a transparent phase grating, that is a diffraction grating that transmits light with uniform amplitude but introduces a sinusoidal phase variation with period a. In the geometrical-optics approximation, light rays passing through the grating are deflected so that they are normal to the sinusoidal wavefront that is generated immediately beyond the grating. These rays generate the pattern shown in figure 6a, which is dominated by caustics, i.e. curves onto which the light is focused and in which the intensity is concentrated. Pairs of caustics join at cusps located near the centres of curvature of the wavefronts. The resulting pattern of rays is not periodic in z, and is thus discordant with the notion that the pattern of waves must repeat with period zT for the Talbot effect to occur. Again the paradox is dissolved by the observation that the Talbot distance is of the order of 1/λ, and so recedes to infinity in the geometrical-optics limit where λ tends to zero. However, when λ/a is small but non-zero, both the caustics and the Talbot repetitions must coexist. This means that the geometrical caustics, including the cusps for distances much less than the Talbot distance, must be regenerated at both integer multiples and fractional multiples of zT. Figures 6b and c show the Talbot carpet for this sinusoidal grating, with apparently no trace of the geometrical-optics caustics and PHYSICS WORLD

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x A phase grating that produces a sinusoidal wavefront. The geometrical-optics rays and caustics are shown in (a) while the resulting Talbot carpets, i.e. density plots, are shown in (b)–(e). (b) One period of the Talbot carpet; (c) half-period of the Talbot carpet; (d) anisotropic magnification shows a geometrical caustic near the grating; (e) anisotropic magnification shows one of the Talbot-reconstructed caustics near z/zT = 0.5. The colour coding is the same as in figure 2. The carpets are calculated using the equation in the box, for λ/H = 1/(400π2).

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their cusps. However, appropriate magnification shows that the original and regenerated caustics (and associated diffraction fringes associated with a single sinusoid) are indeed hidden in the detail of the carpet (figures 6d and e). It is worth emphasizing what a remarkable phenomenon this regeneration is: geometrical-optics caustics have been constructed entirely by interference, in regions where there are no focusing rays. They are the ghosts of caustics. There is a curious analogy between these “caustics without rays” and Moiré patterns, which are “fringes without waves”. Experiments and outlook These predictions – Gauss sums, waves reconstructing themselves, fractal carpets and canals – are not just arcana from the imaginations of theorists. Many of the results have been confirmed by experiments. Fractal aspects of Talbot interference were seen in optical experiments by one of us (MB) and Susanne Klein of Bristol University in 1996. Fractional Talbot images were seen in matter waves (a beam of helium atoms) diffracted by a microfabricated grating, in experiments carried out at the University of Konstanz in 1997 by Stephan Nowak, Christian Kurtsiefer, Christian David and Tilman Pfau. And fractional quantum revivals have been seen in electrons in potassium atoms, which were knocked into appropriate initial states by laser pulses using a “pump-probe”

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236   A Half-Century of Physical Asymptotics and other Diversions technique. These experiments were performed by John Further reading Yeazell and Carlos Stroud at the University of Rochester in M V Berry 1996 Quantum fractals in boxes J. Phys. A 26 6617–6629 1991. Analogous observations of the vibrational quantum M V Berry and E Bodenschatz 1999 Caustics, multiply-reconstructed by Talbot states of bromine molecules were carried out in 1996 by Max interference J. Mod. Optics 46 349–365 Vrakking, David Villeneuve and Albert Stolow at the Uni- M V Berry and S Klein 1996 Integer, fractional and fractal Talbot effects J. Mod. versity of Ottawa in Canada. Optics 43 2139–2164 There are also the beginnings of applications for technol- J H Eberly, N B Narozhny and J J Sanchez-Mondragon 1980 Periodic ogy. Following Rayleigh’s pioneering example, the fine detail spontaneous collapse and revival in a simple quantum system Phys. Rev. Lett. in Talbot wavefunctions is being employed in lithography. 44 1323–1326 And the number-theory properties of the phases have been O Friesch, I Marzoli and W P Schleich 2000 Quantum carpets woven by Wigner proposed as the basis of a means to carry out arithmetic com- functions New J. Phys. 2 4.1–4.11 A E Kaplan et al. 2000 Multi-mode interference: highly regular pattern putations based on interference. However, the predicted Talbot reconstruction of caustics formation in quantum wave packet evolution Phys. Rev. A 61 032101-1–6 for smooth phase gratings has yet to be observed. An appro- C Leichtle, I S Averbukh and W P Schleich 1996 Multilevel quantum beats: priate grating for such experiments could be a sheet of glass an analytical approach Phys. Rev. A 54 5299–5312 with an undulating surface, or a wave on water. And as the S Nowak et al. 1997 Higher-order Talbot fringes for atomic matter waves manipulation of electronic and molecular wave packets with Opt. Lett. 22 1430–1432 ultra-short laser pulses gets more sophisticated, we envisage H F Talbot 1836 Facts relating to optical science no. IV Phil. Mag. 9 401–407 more detailed experimental exploration of the fine structure M J J Vrakking, D M Villeneuve and A Stolow 1996 Observation of fractional revivals of a molecular wavepacket Phys. Rev. A 54 R37–40 of the carpets, such as the diagonal canals. The optical field behind a coherently illuminated diffrac- J A Yeazell and C R Stroud Jr 1991 Observation of fractional revivals in the tion grating, and the quantum particle in a box with uniform evolution of a Rydberg atomic wave packet Phys. Rev. A 43 5153–5156 initial state, are two of the most venerable and widely studied systems in physics. It was quite unexpected to discover such Michael Berry is in the H H Wills Physics Laboratory, Tyndall Avenue, Bristol richness hidden in them, and also to see it displayed by such a BS8 1TL, UK. Irene Marzoli is in the Dipartimento di Matematica e Fisica and wide range of physical systems. Further exploration of these Unità INFM, Università di Camerino, Via Madonna delle Carceri, 62032 intricate manifestations of the coherent addition of waves is a Camerino, Italy, e-mail [email protected]. Wolfgang Schleich is in fitting way to celebrate the bicentenary of Thomas Young’s the Abteilung für Quantenphysik, Universität Ulm, D-89069 Ulm, Germany, e-mail [email protected] great discovery of the interference of waves of light.

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[2.10]  237

Reflections on a Christmas-tree bauble

M V Berry H H Wills Physics Laboratory Bristol 1 Introduction Totally reflecting spheres are most commonly encountered as decorations hanging from Christmas trees, and as steel ball-bearings. In earlier times they were hung in the windows of country cottages to ward off evil spirits, and known as witch balls; these are now highly prized as antiques. On the Continent large silvered glass globes are sometimes employed to decorate gardens, because of the attractive images of cloudscapes that they reflect. The imaging properties of these spheres must surely have been analysed many times during the past few hundred years (if not before), but a fairly extensive search through the literature has failed to uncover any published work on the subject, except for the book by Minnaert (1940) which contains a brief description of the properties of garden globes, together with a number of applications to the study of atmospheric optical phenomena. Every book on optics deals with spherical mirrors, of course, but the treatments seem universally restricted to the paraxial rays from mirrors of small aperture; even in these works, it is often the properties of concave reflectors that are emphasized (because of their usefulness as magnifiers), convex mirrors being relegated to brief mention as a special case to which the formulae remain applicable if the sign of the radius of curvature is reversed. As far as the teaching of optics at an elementary level is concerned, this neglect of the properties of complete spheres is a pity. Certainly the restriction to paraxial rays is necessary in simple optical instruments, but we shall show in §3 that it is unnecessary when dealing with observations with the naked eye alone. The main purpose of this article is to draw the attention of science teachers to a number of visually

appealing phenomena, which are analysed in the first part of §2 in a way that should be understandable by most pupils at 0 level or even earlier; there is no need to introduce mathematical approximations, such as 'sin {} can be replaced by {}', which may confuse the application of the law of specular reflection-perhaps the most intuitively immediate of all the topics in elementary physics. The deeper analysis of the structure of the images, in §3, might help A level pupils to understand more precisely why the paraxial approximation is necessary for telescopes, etc. (the contents of that section could perhaps form the basis of a 'research project').

2 The appearance of the images Consider a sphere of radius r (figure 1) whose centre C lies at a distance d from the eye E of an observer. We shall ignore diffraction and stereoscopic effects throughout, and defer until §3 the implications of the finite size of the pupil of the eye. The rays reaching E from the surface must lie within a cone of semiangle if> max• given by sin max = r (1) Rays making an angle ¢ at the eye, measured from the 'forward direction' EC, have been reflected at a point P after coming from a direction making an angle {} with EC. As ¢> decreases from its maximum value if>max• {}increases from a minimum, equal to ¢max (the case of grazing incidence), to a maximum value of 180° (when ¢ is zero). This means that rays from all incident directions e are imaged in the sphere, except those lying in the cone surrounding the forward direction which is intercepted by the sphere itself. It is this wide-angle property of the reflection from a complete sphere which is responsible for the fascin1

/d.

‘Reflections on a Christmas-tree bauble’ by Berry, M. V., 1972, Physics Education 7, 1-6. © IOP Publishing. Reproduced with permission. All rights reserved.

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238   A Half-Century of Physical Asymptotics and other Diversions at ion of the images that may be seen in it (see figure 2, and two paintings by Escher (1967)). By holding the sphere against the window of a room, for instance, an observer looking outwards can see the interior of the room (which is behind him) reflected in the central regions, surrounded by the (weirdly curved) image of the window frame, which in turn is surrounded by most of the scene outside the room, reflected at neargrazing incidence around the periphery of the sphere (which may therefore be thought of as a sort of 'topological synthesiser', enabling the inside and outside of a room to be seen together). Out-of-doors, the whole sky can be seen reflected in a portion of the globe, and the resulting increase of contrast gradients often enables cloud detail to be discerned which is not immediately apparent to the unaided eye (this is an interesting example, inasmuch as it shows the occasional advantage of a minifier over a magnifier-the detail concerned would not be visible in a telescope). The spheres can also be used to take wide-angle photographs over a range of nearly 360° (actually 360°- 2¢max), whereas conventional wide-angle lenses (also used in spyholes in front doors to inspect potentially unwelcome callers) have a range that rarely exceeds 180°; the only disadvantage of the reflectors is the unavoidable appearance of the camera lens in the centre of the picture. The motion of objects is dramatically distorted by reflection in the spheresa car approaching from the front appears on the edge, moves inwards, turns around, and disappears by receding into the centre of the sphere, while overhanging foliage seems to 'pour' into the centre as the observer passes underneath. Of course an incomplete sphere will still show the wide-angle property to a certain degree, which ex-

Figure 1 Geometry ofbasic reflections.

plains the common use of convex mirrors for rear viewing on cars and bicycles, as an anti-theft precaution in supermarkets, and simply for room decoration (for an early example, see the painting 'The Arnolfini Wedding', by Jan van Eyck 1434, in the National Gallery, London). To proceed further, it is necessary to know the precise relation between the angle of incidence 0 and the angle¢ at the eye (figure 1). An elementary trigonometrical calculation, based on the law of specular reflection at P, leads to the result 0 (2) dsin 9 = rcos( ; 9). As d increases, and the eye recedes from the sphere, the images (which are localized within the sphere, see §3) appear to be distributed across a disc-the projection of the sphere on a plane perpendicular to EC. In this limit, when ¢max is small, virtually the whole sphere of incident directions 0 is imaged onto this disc. We specify positions on the disc by their distance a from the centre; from figure 1, we have a= EP x sin¢::::: dsin 9 (d~r) and substitution into (2), together with neglect of 9 compared with 0 on the right-hand side of (2) leads to (}

a= rcos2.

(3)

This relation, which may also be derived directly, shows how the image moves from the edge of the disc to the centre as the object moves from the forward to the backward directions. The limit we are discussing, which is valid in the commonly-occuring situation where the spheres subtends a small angle at the eye, is not the paraxial case, because although the rays

Figure2

2

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[2.10]  239 entering the eye are nearly parallel, the rays incident on the sphere come from all directions. An interesting special case of (3) occurs when looking down on a globe out-of-doors (figure 3). The horizon, which is the locus of points making an angle 0 equal to 90° with the vertical EC, is imaged as a circle whose radius is a = r cos 45° = ....!.._

v'2

within this circle is the reflection of the sky, while outside it can be seen the ground. To include the three-dimensional aspects of the problem, we rotate figure 1 about the axis EC, specifying the rotation by an azimuth angle 'If which runs from 0° to 360°. We can then regard the reflection as mapping a solid angle dQ (figure 4) of incident rays, given by dQ = sinOdOd'lf onto an area dA of the image disc, given by dA = adad'lf. The mapping ratio from solid angle to area is found, by making use of(3), to be dAl _ _!!_ldal rcos(0/2)xrsin(0/2) r2 (4) dQ - sinO dO 2 sin 0 4 a relation which can be checked by noting that the total area of the disc is 1rr\ while the total solid angle of the sphere of directions is 47r. The important point is that the mapping is uniform-equation (4) is independent of 0 and 'If, so that a given dQ is mapped onto the same dA, no matter where the incident ray bundle is situated in relation to the forward direction. This uniformity of mapping has interesting implications: for instance, we know that any variations of sky brightness that are observed in a globe are real,

l

and are not artefacts of the reflection process. Further, the strikingly distorted images seen in the globe nevertheless subtend the same relative areas as do the original objects, only angles and the straightness of lines being changed. This suggests that an areapreserving map of the whole world would be seen on the image disc if a small silvered globe were situated at the centre of the earth (assumed transparent), those countries being mapped with least distortion which lie on OE produced (ie behind the observer). Figure 5 shows the parallels and meridians for polar and equatorial viewing positions. This mapping is known to cartographers as 'Lambert's azimuthal equal-area projection', introduced in 1772 (see Raisz 1948); it is widely employed to show world air routes.

3

The structure of the images

We now ask: where are the images localized, that are formed by reflection in a silvered globe? This question played no part in our treatment of §2, because there we considered the eye pupil as a point, which in general admits only a single ray from a point object, whose image is therefore not localized at all (this is why a hole, pierced with a fine needle in a piece of metal foil held close to the eye, enables the longsighted to read in comfort at close range, and the short-sighted to see distant scenes clearly). Consider all those rays hitting the sphere which have emerged from a point object 0 (see figure 6, which is the same as figure l with the arrows on the rays reversed). They will be reflected into all directions, and if the emergent rays are produced backwards into the sphere, they will intersect, not at a single image point, but on a caustic surface, so named because on the corresponding surface for a concave reflector or convex lens the sun's heat may be concentrated. The eye will see the 'image' of 0 at different points

dO

Figure 4

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Mapping ofincident rays onto image disc.

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240   A Half-Century of Physical Asymptotics and other Diversions on this surface (or curve, if we restrict ourselves to a plane), depending (figure 6) on the angle of observa· tion 8, which has the same meaning as in §2. It is easily seen that the caustic always lies within the sphere (touching it only for the grazing rays), so that the images are all virtual. The point nearest the centre is the cusp K on the line CO corresponding to the directly-reflected ray (0 = 180°). The closest possible approach of this cusp to the centre occurs when the object lies at infinity, in which case KC is r /2-the well-known value for the focal length of a convex mirror for paraxial rays. Thus, whatever the positions of object and eye, we know that the image will always lie between two spheres, centred on C, whose radii are rand r/2. (o)

This blurring-out into caustics of the images of point objects in wide-aperture mirrors is the reason why most treatments are restricted to the paraxial case. Yet the images seen in spheres-and indeed in the 'crazy mirrors' of varying curvature found at fairgrounds-are frequently crystal clear, so that we must investigate why it is that caustics are not often observed directly with the unaided eye. (The caustics seen in teacups are no exception to this rule, because they are observed not by looking along the rays whose envelope they are, but by scattered light.) The basic reason is that the small aperture e of the eye pupil admits rays from only a short arc-length dS of the caustic, while the least distance of distinct vision g sets a limit to the closeness with which this length can be examined. To estimate the angle a subtended at the eye by the 'image' of height h which this portion of the caustic essentially constitutes, we consider figure 7, which shows (greatly exaggerated) those rays with angles of emergence ranging from 0 to 0 + dO which enter the eye. The size h is clearly given by h _ dSdO _ dS d0 2 _ Rd0 2 - 2 -dO 2 2 where R is the radius of curvature of the caustic at the point considered. The angle a subtended at the eye is h Rd0 2

a=:g=Ta

(5)

while dO is given by (figure 7) e = h + gdO ~ gdO (6) (the term h has been neglected because it only becomes

(b)

Figure 5 Sketch ofparallels(---) and meridians ( - - - ) on an equal-area map of the world/or (a) polar projection (b) equatorial projection.

Figure 6

Formation of virtual caustic of reflection.

4

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[2.10]  241 comparable withe for huge spheres exceeding several metres in diameter-in other words, the 'image' is generally much smaller than the eye pupil, whose diameter it can never exceed under any circumstances). Substituting for dB in (5) gives Rea CG =2gB' Caustics are observable if a exceeds the smallest angle fJ that the eye can resolve, which is given by the Rayleigh criterion as

fJ= 1·22)./e A being the wavelength of the light used. The critical ratio a/Pis therefore

p= 2. R441 ( ge) . 8

ct

(7)

This formula applies to observation in any curved surface. We can estimate R for a sphere by inspecting figure 6, from which it is clear that R is of order r; an exact calculation gives 3r 8 R= 4cos2

for the case where the object point is very far away. The ratio (7) now becomes

~ = 0·3lr

(!!.)a

cos!!. (8) A g 2 from which we can immediately see that the cusp K is unobservable (this corresponds to back reflection of the paraxial rays from the front of the sphere, with (} = 180°). Under normal daytime conditions the aperture e of the pupil iS about 3 X 10-3m, while the least distance g of comfortably distinct vision is about 0·2m; taking the wavelength of yellow light as 5 x 10- 7m, we get a (} p::::.2rcos2

fJ

where r, the sphere radius, is measured in metres. This

ratio only exceeds unity for spheres more than about a metre across, when the additional complication arises that the caustic is buried deep inside the sphere (except at near-grazing incidence), and cannot be approached to within the distance g. Thus we do not expect to see caustics easily in daylight. A dramatic increase in the magnitude of a/fJ can be obtained by using the facts that a dark-adapted pupil can expand to at least double its normal size, while most people can with a certain discomfort focus on objects as close as 0·12m. The ratio ct/fJ now becomes Cl.

8

p==-75rcos2

and we predict that in these new circumstances the distortion of the images of point objects should be observable in spheres down to a few centimetres across. These conclusions are borne out by experiment. In a darkened room the caustic is clearly seen in a sphere of 0·1 m radius, but it vanishes rapidly-ie the image contracts almost to a point-when a light is switched on, causing the pupil to contact. Observation is best carried out at about() 90°, when cos 8/2:::::. 0·7, the slight improvement in resolution at more glancing angles (smaller 8) being outweighed by the greater effects of surface imperfections, etc. An adequate point source is a pinhole in a piece of kitchen foil, wrapped over the shade of a desk lamp. In optical instruments, such as telescopes, where the image is greatly magnified by an eyepiece, the caustic would be clearly visible, and would constitute a serious aberration of the system, if observation were not restricted to the narrow bundle of paraxial rays for which cos(} /2 is negligible (of equation (8)).

4 Conclusions It seems that silvered globes may be a useful aid in the

teaching at various levels of a wide range of concepts, including the laws of reflection, plane trigonometry, solid angle, mapping of a sphere, image formation, and caustics. An easy way of producing the globes is to silver the inside surface of a round-bottomed flask, whose neck provides a useful handle (care should be taken to select a flask whose glass is relatively free from blemishes, and it is advisable to stop up the end of the neck with a rubber bung to exclude dust.)

Acknowledgments

Figure 7 Part of the caustic contributing to rays admitted by the pupil.

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I am happy to thank Dr Derek Greenwood and Dr Michael Hart for their helpful suggestions, Mr Tony O~man for silvering the first flask, Mr George Keene for taking the photographs, and Professor Charles Frank for correcting a mistake in one of the figures. 5

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242   A Half-Century of Physical Asymptotics and other Diversions

References Escher M C 1967 The graphic work of M C Escher (London: Oldbourne) Minnaert M, 1940 Light and colour in the open air (London: G Bell and Sons) Raisz E, 1948 General cartography (New York: McGraw-Hill)

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[2.11]  243 INSTITUTE OF PHYSICS PUBLISHING Eur. J. Phys. 27 (2006) 109–118

EUROPEAN JOURNAL OF PHYSICS

doi:10.1088/0143-0807/27/1/012

Oriental magic mirrors and the Laplacian image M V Berry H H Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, UK

Received 26 September 2005, in final form 20 October 2005 Published 24 November 2005 Online at stacks.iop.org/EJP/27/109 Abstract

The pattern embossed on the back of an oriental magic mirror appears in the patch of light projected onto a screen from its apparently featureless reflecting surface. In reality, the embossed pattern is reproduced in low relief on the front, and analysis shows that the projected image results from pre-focal ray deviation. In this interesting regime of geometrical optics, the image intensity is given simply by the Laplacian of the height function of the relief. For patterns consisting of steps, this predicts a characteristic effect, confirmed by observation: the image of each step exhibits a bright line on the low side and a dark line on the high side. Laplacian-image analysis of a magic-mirror image indicates that steps on the reflecting surface are about 400 nm high and laterally smoothed by about 0.5 mm.

1. Introduction

Cast and polished bronze mirrors, made in China and Japan for several thousand years, exhibit a curious property [1–4], long regarded as magical. A pattern embossed on the back (figure 1(b)) is visible in the patch of light projected onto a screen from the reflecting face (figure 2), when this is illuminated by a small source, even though no trace of the pattern can be discerned by direct visual inspection of the reflecting face (figure 1(a)). The pattern on the screen is not the result of the focusing responsible for conventional image formation, because its sharpness is independent of distance, and also because the magic mirrors are slightly convex. It was established long ago [2] that the effect results from the deviation of rays by weak undulations on the reflecting surface, introduced during the manufacturing process and too weak to see directly, that reproduce the much stronger relief embossed on the back. Such ‘Makyoh imaging’ (from the Japanese for ‘wonder mirror’) has been applied to detect small asperities on nominally flat semiconductor surfaces [5–8]. My aim here is to draw attention (section 2) to a simple and beautiful fact, central to the optics of magic mirrors, that has not been emphasized—either in the qualitative accounts [9–11] or in an extensive geometrical-optics analysis [12]: in the optical regime relevant to magic mirrors, the image intensity is given, in terms of the height function h(r) of the relief 0143-0807/06/010109+10$30.00

c 2006 IOP Publishing Ltd Printed in the UK 

109

‘Oriental magic mirrors and the Laplacian image’ by Berry, M. V., 2006, European Journal of Physics 27, 109118. © IOP Publishing. Reproduced with permission. All rights reserved.

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244   A Half-Century of Physical Asymptotics and other Diversions 110

M V Berry

(b)

(a)

105mm

105mm

Figure 1. (a) Convex reflecting face of magic mirror, (b) pattern embossed on back face of magic mirror. These and subsequent images were photographed with a Fuji 610F digital camera, and saved as jpeg files, the only manipulation being conversion from RGB to greyscale.

420mm Figure 2. Magnified magic-mirror image reflected onto a screen by the illuminated front face.

on the reflecting surface, by the Laplacian ∇ 2h(r) (here r denotes position in the mirror plane: r = {x, y}). The Laplacian image predicts striking effects for patterns, such as those on magic mirrors, that consist of steps (section 3); these predictions are supported by experiment (section 4). The detailed study of reflection from steps throws up an unresolved problem (section 5) concerning the relation between the pattern embossed on the back and the relief on the reflecting surface. The Laplacian image is an approximation to geometrical optics, which is itself an approximation to physical optics. The appendix contains a discussion of the Laplacian image starting from the wave integral representing Fresnel diffraction from the mirror surface. 2. Geometrical optics and the Laplacian image

If we measure the height h(r� ) from the convex surface of the mirror (figure 3), assumed to have radius of curvature R0 , then the deviation of the surface undulations from a reference plane (figure 3) is η(r� ) = −

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r �2 + h(r� ). 2R0

(1)

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[2.11]  245 Oriental magic mirrors and the Laplacian image

111

source observation plane

R=Mr

H

mi rro

ce

D

r s u r fa

r'

h(r') radius R

0

Figure 3. Geometry and coordinates for formation of magic-mirror image. For clarity, the surface

elevation h(r� ) (measured from the convex surface with radius of curvature R0) is exaggerated; in reality, the surface radii of curvature can be comparable with or smaller than R0, so the mirror’s undulating surface can be entirely convex.

The specularly reflected rays of geometrical optics are determined by the stationary value(s) of the optical path length L from the source (distance H from the reference plane) to the position R on the screen (distance D from the reference plane) via the point r� on the mirror. This is   L = (H − η(r� ))2 + r �2 + (D − η(r� ))2 + (R − r� )2 ≈ H + D + �(r� , R), (2)

where in the second line we have employed the paraxial approximation (all ray angles small), with r �2 (R − r� )2 r �2 − 2h(r� ). (3) + + �(r� , R) = 2H 2D R0 In applying the stationarity condition ∇r� �(r� , R) = 0,

(4)

r = r� − Z∇h(r� ).

(6)

it is convenient to define the magnification M, the reduced distance Z, and the demagnified observation position r referred to the mirror surface: D 2D 2D R M ≡1+ , Z≡ + , r≡ . (5) H R0 M M We note an effect of the convexity that will be important later: as the source and screen distance increase, Z approaches the finite asymptotic value R0. With these variables, the position r� (r,Z), on the mirror, of rays reaching the screen position r, is the solution of The focusing and defocusing responsible for the varying light intensity at r involves the Jacobian determinant of the transformation from r� to r, giving, after a short calculation,   ∂x ∂y ∂x ∂y −1 Igeom (r, Z) = constant × − ∂x � ∂y � ∂y � ∂x � r� →r� (r,Z)   −1  � � � 2 ) ∂h(r ) ) ∂h(r ∂h(r = 1 − Z∇ 2 h(r� ) + Z 2 − , (7) ∂x �2 ∂y �2 ∂x � ∂y � � � r →r (r,Z)

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246   A Half-Century of Physical Asymptotics and other Diversions 112

M V Berry

(a)

(b)

Figure 4. (a) Tracing of relief on the back of the mirror, with step heights shaded according

to elevation (lowest black, highest white); (b) Laplacian image of (a), smoothed by l = 0.5 mm according to equations (10), (12) and (13).

where the result has been normalized to Igeom = 1 for the convex mirror without surface relief (i.e. h(r) = 0). So far, this is standard geometrical optics [12]. In general, more than one ray can reach r—that is, (6) can have several solutions r� —and the boundaries of regions reached by different numbers of rays are caustics [13, 14]. In magic mirrors, however, we are concerned with a limiting regime satisfying Z � 1, Rmin

(8)

where Rmin is the smallest radius of curvature of the surface irregularities. Then there is only one ray, (6) simplifies to r� ≈ r,

(9)

and the intensity simplifies to ILaplacian (r, Z) = 1 + Z∇ 2 h(r).

(10)

This is the Laplacian image. Changing Z affects only the contrast of the image and not its form, so (10) explains why the sharpness of the image is independent of screen position, provided (8) holds. The intensity is a linear function of the surface irregularities h, which is not the case in general geometrical optics (i.e. when (8) is violated), where, as has been emphasized [12] the relation (7) is nonlinear. And, as already noted, for a distant source and screen Z approaches the value R0 , implying that (8) holds for any distance of the screen if R0 � Rmin, that is, provided the irregularities are sufficiently gentle or the mirror is sufficiently convex. Alternatively stated, the convexity of the mirror can compensate any concavity of the irregularity h, in which case there are no caustics for any screen position. 3. Laplacian images of steps

The relief hback on the back of magic mirrors commonly consists of a pattern of steps (hback, like h, is measured outwards from the mid-plane of the mirror, so increasing step heights on both the front and back correspond to increasing h and hback). Figure 4(a) shows a tracing of the pattern of figure 1(b), with step heights shaded according to elevation. It seems that

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[2.11]  247 Oriental magic mirrors and the Laplacian image

113

during the manufacturing process this is reproduced on the reflecting surface, with the steps greatly diminished—by a factor a, say—and slightly smoothed—by a distance l, say—so that, modelling the smoothing as Gaussian,    a (r�� − r� )2 � 2 �� �� d r hback (r ) exp − . (11) h(r , l) = 2πl 2 2l 2 Then the Laplacian image can be implemented with the transformation  2 � ∇ h(r , l) = d2 r�� hback (r�� )K(r�� − r� ),

(12)

where the kernel is

  a (r�� − r� )2 �� � 2 2 K(r − r ) = [(r − r ) − 2l ] exp − . 2πl 6 2l 2 ��



(13)

(In image processing, this transformation is commonly employed for edge detection [15–17].) It is easy to implement the Laplacian image (10) using the transformation (12) and (13). In MathematicaTM , for example [18], this involves essentially only three lines of code: one to import the image as a list, one to define the kernel K, and one to define the convolution. Figure 4(b) shows a magic-mirror image simulated in this way; it should be compared with the observation in figure 2. The essential features of the image, correctly reproduced by the theory, are associated with the steps: each step on the back appears in the image as a bright line on the low side, where the concavity of h leads to a concentration of rays, and a dark line on the high side, where the convexity of h leads to a depletion of rays. To examine the image in more detail, we model the l-smoothed step, with height h0, by  x/ l x  h0 h0 dt exp(−t 2 ) (14) erf =√ h(x) = 2 l π 0 and introduce the dimensionless position and distance variables x� x , ξ� ≡ , Ml l Then the exact ray equation (6) becomes ξ≡

ζ ≡Z

h0 . l2

ζ ξ = ξ � − √ exp(−ξ �2 ) ⇒ ξ � (ξ, ζ ), π and the geometrical intensity is  −1 2ζ ξ � . Igeom (ξ, ζ ) = 1 + √ exp{−ξ � (ξ, ζ )2 } π

(15)

(16)

(17)

The Laplacian image (10) is simply

2ζ ξ ILaplacian (ξ, ζ ) = 1 − √ exp{−ξ 2 }. π

(18)

4. Experiment

Equation (18) is the prediction of the Laplacian theory for the image of a smoothed step. To compare it with observation, we first extract a part of the image (figure 2), corresponding to a prominent step; this is shown in figure 5(a). Next, we reduce the noise by smoothing along the step (figure 5(b)). The intensity profile of the image is the full curve in figure 6.

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248   A Half-Century of Physical Asymptotics and other Diversions 114

M V Berry

(a)

(b)

10mm

10mm

Figure 5. (a) Magnification of part of left-hand vertical step near the centre of magic-mirror image in figure 2; (b) as (a), after averaging along the step. The length scales denote distances on the mirror surface, not the image.

I 180 160 140 120 0

5

10

x(mm)

Figure 6. Full curve: intensity across the step in figure 5(b) (arbitrary units); dashed curve:

Laplacian-image fit from equation (18), with a straight line of finite slope replacing the constant term; dotted curve: full geometrical-optics fit, incorporating the ray displacement (16) and intensity (17).

Measurements on the curve give the intensity contrast as Cexp ≡

2(Imax − Imin ) = 0.467. (Imax + Imin )

(19)

√ Comparison with the theoretical contrast from the extrema of (18) (at ξ = ±1/ 2), namely Ctheory = 2ζ



2 , πe

(20)

leads to the identification ζ = 0.482. In the experiment, the source (a halogen lamp) and screen were at the same distance from the mirror, also chosen to coincide with R0: D = H = R0 = 800 mm. Thus, from (5), and also as observed (cf the scale in figure 2), the magnification is M = 4, leading to Z = H/2 = 400 mm. Fitting the observed step profile to (18) (dashed curve in figure 6), gives the step width l = 0.560 mm. The relation (15) now gives the step height h0 = ζ l2/Z = 378 nm. This value is substantially less than the wavelengths of visible light, so it is not surprising that the steps cannot be seen directly.

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[2.11]  249 Oriental magic mirrors and the Laplacian image

115

The Laplacian-image fit in figure 6 is good, but fails to incorporate a slight asymmetry between the two sides of the step: on the bright side, the intensity rises higher above the mean than it falls below the mean on the dark side. To understand this, we investigate the degree to which the condition (8) is satisfied. In the dimensionless variables (15), (8) corresponds to  πe = 2.067 . . . (21) ζ � ζ∗ ≡ 2 The value ζ = 0.482 derived from observation is substantially smaller than ζ ∗—well within the no-caustic regime that we have identified as corresponding to magic mirror imaging. However, fitting with the full geometrical-optics theory (16) and (17) (dotted curve in figure 6) gives a small correction that reduces the discrepancy by introducing an asymmetry in the correct sense. (The asymmetry between the bright and dark sides of the step increases with ζ until ζ = ζ ∗ where the caustic is born.) 5. Concluding remarks

The theory based on the Laplacian image accords well with observation, at least for the mirror studied here. The key insight is that the image of a step is neither a dark line nor a bright line, as sometimes reported [11], but is bright on one side and dark on the other. It is possible that there are different types of magic mirror, where for example the relief is etched directly onto the reflecting surface and protected by a transparent film [11], but these do not seem to be common. Sometimes, the pattern reflected onto a screen is different from that on the back, but this is probably a trick, achieved by attaching a second layer of bronze, differently embossed, to the back of the mirror. Pre-focal ray concentrations leading to Laplacian images are familiar in other contexts, though they are not always recognized as such. An example based on refraction occurs in old windows, where a combination of age and poor manufacture has distorted the glass. The distortion is not evident in views seen through the window when standing close to it. However, when woken by the low morning sun shining through a gap in the curtains onto an opposite wall, one often sees the distortions magnified as a pattern of irregular bright and dark lines. If the equivalent of (8) is satisfied, that is if the distortions and propagation distance are not too large, the intensity is the Laplacian image of the window surface. (When the condition is not satisfied, the distortions can generate caustics.) Only the optics of the mirror has been studied here. The manner in which the pattern embossed on the back gets reproduced on the front has not been considered. Referring to (11), this involves the sign of the coefficient a in the relation between hback and h. There have been several speculations about the formation of the relief. One is that the relief is generated while the mirror is cooling, by unequal contraction of the thick and thin parts of the pattern [10]; it is not clear what sign of a this leads to. Another [4] is that cooling generates stresses, and that during vigorous grinding and polishing the thin parts yield more than the thick parts, leading to the thick parts being worn down more; this leads to a < 0. However, this seems to contradict the observations, which point firmly to a > 0: bright (dark) lines on the image, indicating low (high) sides of the steps on the reflecting face, are associated with the low (high) sides of the steps on the back (figure 7(a)), not the reverse (figure 7(b)). This suggests two avenues for further research. First, the sign of a should be determined by direct measurement of the profile of the reflecting surface; I predict a > 0. Second, whatever the result, the mechanism should be investigated by which the process of manufacture reproduces onto the reflecting surface the pattern on the back.

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M V Berry

(a)

h

h back

(b)

h h back

Figure 7. (a) Relief h of the reflecting surface with the same sign as the relief hback embossed on

the back, i.e. a > 0 in (11); this is the sign supported by observation. (b) As (a), but with a < 0, suggested by the stress-release theory but not by observation.

Acknowledgment

My research is supported by the Royal Society of London. Appendix. Diffraction

For magic mirrors, the Laplacian-image intensity (10) is a good approximation to the full geometrical-optics theory (7). How accurate is geometrical optics as an approximation to physical (wave) optics? To investigate this, we represent the reflected light wave ψ, with wavenumber k = 2π/λ for light of wavelength λ, as a Fresnel (paraxial) diffraction integral. From the optical path length (3), and in terms of the variables (5), the integral, normalized to unity when h(r) = 0, is  k dr� exp{ik[(r� − r)2 /Z − 2h(r� )]}. (A.1) ψ(r, Z) = −i πZ mirror Geometrical optics emerges in the familiar way, as the large k asymptotic approximation obtained by the stationary-phase method [19], which selects the rays (6) corresponding to the values of r� that contribute coherently to the integral. To investigate the quality of the approximation, we integrate (A.1) numerically, with the profile (14) corresponding to a single step. With the dimensionless variables (15), and κ ≡ kh0 ,

(A.1) becomes, in terms of the variable τ = ξ � −ξ ,  ∞   exp − 14 iπ dτ exp{i[τ 2 − κ erf(ξ + τ ζ /κ)]}. ψ(ξ, ζ, κ) = √ π −∞

(A.2)

(A.3)

The integral converges fast enough for convenient numerical evaluation if the contour is deformed into a complex path with τ = σ exp(iπ/8) (−∞ < σ < +∞). Choosing ζ = 0.482

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[2.11]  251 Oriental magic mirrors and the Laplacian image

I

117

(a)

1.2

1

0.8

-3

-2

-1

0

1

2

3

ξ

I (b)

1.2

1

0.8

-10

-5

0

5

10

ξ

Figure 8. (a) Comparison of wave intensity I = |ψ|2, computed from (A.3) (full curve) with the geometrical-optics intensity (17) (dashed curve), for the empirical values ζ = 0.482, κ = 3.65. (b) As (a), with κ = 0.05, corresponding to a step height h0 = 5.2 nm, and with the wave intensity computed from (A.4) (indistinguishable from (A.3) for this case).

(section 4), and representing visible light by wavelength λ = 650 nm, so that (A.2) and the height h0 = 378 nm give κ = 3.65, we obtain the image shown in figure 8(a). Evidently geometrical optics is an excellent approximation. The fact that h0 = 378 nm is smaller than the wavelengths in visible light does not imply that the Laplacian image is the small-κ limit of (A.3), namely the perturbation limit corresponding to infinitely weak relief. Indeed it is not: the perturbation limit, obtained by expanding the exponential in (A.3) and evaluating the integral over τ , with a renormalized denominator to incorporate the known limit I = 1 for ξ = ±∞, is √ 1 − iκ erf(ξ/ 1 + iζ /κ) . (A.4) ψpert (ξ, ζ, κ) = √ 1 + κ2 For the gentlest steps, this predicts low-contrast oscillatory images, very different from the Laplacian images of geometrical optics; this is illustrated in figure 8(b), calculated for k = 0.05, corresponding to h0 = 5.2 nm. References [1] Auckland G 2001 Magic Mirrors, or Through the Looking Glass http://www.grand-illusions.com/magicmirror/ magmir1.htm [2] Ayrton W E and Perry J 1878–9 The magic mirror of Japan Proc. R. Soc. 28 127–48 [3] Thompson S P 1897 Light, Visible and Invisible (London: Macmillan) [4] Bragg W L 1933 The Universe of Light (London: G Bell) [5] Kugimiya K 1990 ‘Makyoh’: the 2000 year old technology still alive J. Cryst. Growth 103 420–2 [6] Hahn S, Kugimiya K and Yamashita M 1990 Characterization of mirror-like wafer surfaces using the magicmirror method J. Cryst. Growth 103 423–32

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[7] Tokura S, Fujino N, Ninomiya M and Masuda K 1990 Characterization of mirror-polished silicon wafers by Makyoh method J. Cryst. Growth 103 437–42 [8] Shiue C-C, Lie K-H and Blaustein P R 1992 Characterization of deformations and texture defects on polished wafers of III-V compound crystals by the magic mirror method Semicond. Sci. Technol. 7 A95–7 [9] Swinson D B 1992 Chinese ‘magic’ mirrors Phys. Teach. 30 295–9 [10] Yan Y-L 1992 Three demonstrations from ancient Chinese bronzeware Phys. Teach. 30 341–3 [11] Mak S-Y and Yip D-Y 2001 Secrets of the Chinese magic mirror replica Phys. Educ. 36 102–7 [12] Riesz F 2000 Geometrical optical model of the image formation in Makyoh (magic-mirror) topography J. Phys. D: Appl. Phys. 33 3033–40 [13] Berry M V and Upstill C 1980 Catastrophe optics: morphologies of caustics and their diffraction patterns Prog. Opt. 18 257–346 [14] Nye J F 1999 Natural Focusing and Fine Structure of Light: Caustics and Wave Dislocations (Bristol: Institute of Physics Publishing) [15] Marr D and Hildreth E 1980 Theory of edge detection Proc. R. Soc. B 207 187–217 [16] Chen J S and Medioni G 1989 Detection, localization and estimation of edges IEEE Trans. Pattern Anal. Mach. Intell. 11 191–8 [17] Baraniak R G 1995 Laplacian Edge Detection http://www.owlnet.rice.edu/∼elec539/Projects97/morphjrks/ laplacian.html [18] Wolfram S 1996 The Mathematica Book (Cambridge: Cambridge University Press) [19] Born M and Wolf E 1959 Principles of Optics (London: Pergamon)

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[2.12]  253 Contemporary Physics, 2015 Vol. 56, No. 1, 2–16, http://dx.doi.org/10.1080/00107514.2015.971625

Nature’s optics and our understanding of light M.V. Berry* H H Wills Physics Laboratory, University of Bristol, Bristol BS8 1TL, UK (Received 8 September 2014; accepted 23 September 2014) Optical phenomena visible to everyone have been central to the development of, and abundantly illustrate, important concepts in science and mathematics. The phenomena considered from this viewpoint are rainbows, sparkling reflections on water, mirages, green flashes, earthlight on the moon, glories, daylight, crystals and the squint moon. And the concepts involved include refraction, caustics (focal singularities of ray optics), wave interference, numerical experiments, mathematical asymptotics, dispersion, complex angular momentum (Regge poles), polarisation singularities, Hamilton’s conical intersections of eigenvalues (‘Dirac points’), geometric phases and visual illusions. Keywords: refraction; reflection; interference; caustics; focusing; polarisation

1. Introduction Natural optical phenomena have been the subject of many studies over many centuries, and have been described many times in the technical [1,2] and popular [3–5] literature. Yet another general presentation would be superfluous. Instead, as my way of celebrating the International Year of Light, this article will have a particular intellectual emphasis: to bring out connections between what can be seen with the unaided, or almost unaided, eye and general explanatory concepts in optics and more widely in physics and mathematics – to uncover the arcane in the mundane. In addition, I will make some previously unpublished observations concerning several curious optical effects. Each section will describe a particular phenomenon, or class of phenomena, which I try to present in the simplest way compatible with my theme of underlying concepts. The sections are almost independent and can be read separately. A disclaimer: The historical elements in what follows should not be interpreted as scientific history as practised by professionals, where it is usual to study the contributions of scientists in the light of the times in which they lived. My approach is different: to consider the past in the light of what we know today – for the simple reason that the scientific contributions we remember are those that have turned out to be fruitful in later years or even (as we will see) later centuries. The significance of the past changes over time. 2. Rainbows: the power of numerical experiments Figure 1 is Roy Bishop’s photograph of a primary rainbow accompanied by a faint secondary bow. It is iconic

because the house in the picture is Isaac Newton’s birthplace and it was Newton who gave the first explanation of the rainbow’s colours [6]. We will see later why the picture is ironic as well as iconic. To a physicist, the colours are a secondary feature, associated mainly with the dependence of refractive index of water on wavelength (optical dispersion). More fundamental is the very existence of a bright arc in the sky. This had been explained by Descartes in 1638 [7]. To calculate the paths of light rays (Figure 2(a)) refracted into and out of a raindrop, with one reflection inside, he used the law of refraction that he probably discovered independently, though we associate it with Snel, who knew it already (and it was known to Harriot several decades before, and to Ibn Sahl half a millennium earlier [8]). Nowadays, we would use elementary trigonometry to find the deviation D of a ray incident on the drop with impact parameter x, if the refractive index is n: � � x (1) Dð xÞ ¼ p � 4sin�1 � 2sin�1 x : n The calculation reveals a minimum deviation (Figure 2(b)) given by �pffiffiffiffiffiffiffiffiffiffiffiffiffi pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi� 2 1 � x2 � 2 n 2 � x 2 dD pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi ¼ ¼0 dx ð 1 � x2 Þ ð n2 � x 2 Þ rffiffiffiffiffiffiffiffiffiffiffiffiffi 4 � n2 ; for x ¼ xmin ¼ 3

(2)

corresponding to the deviation of the rainbow ray, namely

*Email: [email protected] © 2014 Taylor & Francis

‘Nature’s optics and our understanding of light’ by M.V. Berry, Contemporary Physics, Volume 56 (2015) Issue 1. Reprinted by permission of Taylor & Francis Ltd, http://www.tandfonline.com. This chapter is derived in part from an article published in Contemporary Physics on 29 Oct 2014, available online: http://www.tandfonline.com/doi/full/10.1080/00107514.2015.971625.

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3 3=2

ð 4 � n2 Þ 33=2 n2 4 ¼ 180� � 42:03� for n ¼ : 3

Dmin ¼ Dðxmin Þ ¼ 2 cos�1

Figure 1. Rainbow over Isaac Newton’s birthplace, showing the primary bow decorated by a supernumerary bow, and a faint secondary bow. Reproduced by kind permission of Professor Roy Bishop.

x=1 rainbow ray x rays from sun

(a)

a

x=0

rays D

(b) 180 170 160 150 140 0.0

0.2

0.4

0.6

0.8

1.0

x

Figure 2. (a) Rays in a raindrop; showing the minimum deviation (rainbow) ray. (b) Ray deflection function, with dots indicating the points calculated by Descartes.

10480-02-12.indd 254

(3)

Descartes proceeded differently. Our facility with trigonometric calculations was not available in his time; instead, he used a geometric version of Snel’s law to compute the rays laboriously, one by one. As we would say now, he performed a numerical experiment. The dots in Figure 2(b) correspond to the rays he calculated [7]. But why should the rainbow ray, emerging at Dmin, be bright? What about the other, more deviated, rays, illuminating the sky inside the bow? Descartes understood that although the drop is lit uniformly in x, the rays emerge non-uniformly in D. In particular, rays incident in an interval dx near xmin emerge concentrated into a range dD = 0. This is angular focusing: a lot goes into a little. The rays emerge as a directional caustic. The rainbow caustic is a bright cone emerging from each droplet; and we, looking up at the rain, see, brightly lit, in the form of an arc, all the drops on whose cones our eyes lie. We will encounter the concept of a caustic repeatedly in later sections of this paper; it denotes the envelope of a family of rays, that is the focal line or surface touched by each member of the family. A caustic is a holistic property of a ray family, not inherent in any individual ray. Caustics are the singularities of geometrical optics [9]. The intensity I corresponding to deviation D, given by equating the light entering in an annulus around x and emerging in a solid angle around D, is    x dD�1    j2p sin DdDjI / j2pxjdx; i.e. I /  : (4) sin D dx 

rainbow ray

130

!

This diverges at the rainbow angle (3), predicting, on this geometrical-optics picture, infinite intensity where dD/dx = 0. The singularity would be softened by the 1/2° width of the sun’s disc and the colour dispersion. Now look more closely at Figure 1, and notice the bright line just inside the main arc. This supernumerary bow did not fit into the Newton–Descartes scheme, and there seems no evidence that Newton noticed it (the term ‘supernumerary means ‘surplus to requirements’, i.e. ‘unwanted’). The explanation had to wait for nearly a century, when Young [10–12] pointed out, as an example of his wave theory of light, that supernumerary bows are interference fringes, resulting from the superposition of the waves associated with the two rays that emerge in each direction D away from the minimum. It is remarkable that just by looking up in the sky at this fine detail (visible in about half of natural rainbows), one sees directly the replacement of the theory of light in terms of rays – geometrical optics – by the deeper and more

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[2.12]  255 4

M.V. Berry

fundamental wave theory. This is the irony of Figure 1: interference fringes, that Newton could not explain, hovering over his house, as if in mockery. Young understood that his two-wave picture could not be a precise description of the light near a rainbow because the intensity would still diverge at the rainbow angle, and he had the insight that – using modern terminology – a wave should be described by a smooth wave function. It took nearly 40 years for Airy [13] to provide the definitive formula for the smooth wave function near a caustic. He calculated that the intensity (Figure 3(a)) is the square of an integral, now named after him:

Aið xÞ ¼

1 p

Z1

dt cos

0

� � 1 3 t þ xt : 3

(5)

For light wavelength λ and a drop with radius a, the ‘rainbow-crossing variable’ x is [14] pffiffiffiffiffiffiffiffiffiffiffiffiffi � � n2 � 1 4pa 2=3 : (6) x ¼ ðDmin � DÞ 3k ð4 � n2 Þ1=6

cos

2

(a)

0.3

Ai

0.2

0.1

0

-8

-6

-4

-2

0

2

4

x

Ai2

(b)

Airy realised that Ai(x) describes the wave close to any caustic, not just that associated with a rainbow. Notwithstanding repeated attempts to understand (5), Airy did ‘not succeed in reducing it to any known integral’. Therefore, he resorted to what Descartes had done two centuries before and what we continue to do today when faced with a mathematically intractable theory. He performed a numerical experiment: evaluating the integral by approximate summation of the integrand in increments dt – a far from trivial task given the oscillatory nature and slow convergence. The result was that he could calculate Ai(x) over the range |x| < 3.748 shown shaded on Figure 3(a) [13], including just two peaks of Ai2(x). This restriction to barely two intensity maxima was frustrating, because 30 supernumerary fringes had been observed in laboratory experiments with transparent spheres. What was lacking was the asymptotics of Ai(x): a precise description of the oscillations for x � �1 and the decay into the geometrically forbidden region x � þ1. This was supplied 10 years later by Stokes [15], who showed that (Figure 3(b))

0.3

0.2



3=2 2 3 ð�xÞ

� þ 14 p

pffiffiffi pð�xÞ1=4

x��1

Aið xÞ

� � exp � 23 x3=2 pffiffiffi 1=4 : (7) x�1 2 px

Stokes’s paper was technically remarkable; using the differential equation satisfied by Ai(x), he ‘pre-invented’ what later came to be known as the WKB method and, to identify certain constants, he anticipated the method of stationary phase for oscillatory integrals. But his insight was far deeper, leading him to identify a difficulty and contribute to its solution, in a way that has proved central to contemporary mathematics. The asymptotics (7) shows that for x ≫ +1, Ai(x) is described by one exponential function, while for x ≪ −1, there are two exponentials (because cosθ = (exp (iθ) + exp(−iθ))/2). One of these is the analytic continuation, through complex z = x + iy, of the exponential for x ≫ +1. But where did the other come from? The key was identified by Stokes a further decade later [16,17]: the exponentials in (7) are the first terms in formally exact expressions as divergent infinite series. For Re (z) ≫ +1, i.e. on the dark side, the series is

0.1

0

-8

-6

-4

-2

0

2

4

x

Figure 3. (a) Airy function intensity, with shading indicating the range that Airy computed by numerical integration. (b) Red curve: Airy intensity; black curve: geometrical optics approximation; dotted curve: Young’s interfering ray approximation; Dashed curve: lowest-order Stokes asymptotics.

10480-02-12.indd 255

Aið zÞ ¼

� � 1 � �� � exp � 23 z3=2 X n � 16 ! n � 56 ! �4 �n : pffiffiffi 1=4 ð�1Þn 2 pz 2pn! 3 z3=2 n¼0

(8)

The divergence arises from the factorials: two in the numerator dominating one in the denominator. Nevertheless, for large z, the terms start by getting smaller, making the series practical for accurate numerical evaluation. Stokes thought that the greatest accuracy is obtained by truncating the series at the least term (after which, the

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256   A Half-Century of Physical Asymptotics and other Diversions Contemporary Physics Stokes line

z plane

5

condensed matter [32] physics. Finally, Ai(x) is now understood as the simplest member of a hierarchy of diffraction catastrophes [9,33,34], describing waves near caustics of increasing geometrical complexity.

one exponential

two exponentials bright side

dark side

x=Rez

Figure 4. Complex plane of Ai(z), with the Stokes line across which the second exponential is born.

series starts to diverge), leaving a small remainder representing an irreducible vagueness in the representation of Ai(z) by the series. In a path in the upper z half-plane from z positive real to negative real (Figure 4), the small exponential on the right of (7) becomes exponentially large when argz = 120°. Near this ‘Stokes line’, the second exponential on the left of (7) is exponentially small – smaller, indeed, than the remainder of the truncated series, allowing it to enter Ai(z) unnoticed and then to grow into the previously problematic oscillatory second exponential for z negative real, giving the cosine interference fringes on the bright side of the rainbow. Although Stokes was wrong in thinking that the accuracy of factorially divergent series is limited by the smallest term, his Stokes lines appear in a wide variety of functions and are seminal to our modern understanding of divergent series. We now know [18–21] that the second exponential is born from the resummed divergent tail of the series multiplying the first exponential, and in a manner that is the same for all factorially divergent series. This universality, first emphasised by Dingle [22], enables repeated resummation and computation of functions with unprecedented accuracy [23,24]. The associated technicalities are now being applied in quantum field theory and string theory [25]. We see that understanding the rainbow has been an intellectual thread linking numerical experimentation, evidence for wave optics superseding ray optics and the mathematics of divergent series. This far from exhausts the physics associated with the rainbow. The λ dependence of the rainbow Airy argument (6) contributes diffraction colours [26] in addition to the dispersion colours explained by Newton [7]. The electromagnetic vector nature of light explains subtle polarisation detail [14]. The function Ai(x), that in its original form, e.g. with the variable (6), describes only the close neighbourhood of a caustic, can be stretched to provide a uniform approximation [27–29] extending the accuracy to regions far from the caustic. Analogues of rainbow scattering occurs in quantum [28,30,31] and

10480-02-12.indd 256

3. Sparkling seas: twinkling and lifelong fidelity Figure 5 shows images of the sun reflected by wavy water. The images we see correspond to places where the water surface is sloped to reflect light into our eye. As the waves move and the shape of the surface changes, the images move too. They appear and disappear in pairs. Such events, called ‘twinkles’, correspond to caustic surfaces (Figure 6(a)) in the air above the water, passing through the eye. The succession of twinkles, often too rapid for us to follow in detail, gives rise to the sparkling appearance of the water. The intricate topology of the reflections and the coalescence events, and the associated statistics for waves represented by Gaussian random functions were studied in pioneering papers by Longuet-Higgins [35–37]. The techniques he developed were applied to the statistics of caustics [9] and extended to describe phase [38] and polarisation singularities [39] in random waves. Here, I draw attention to a statistical problem hinted at by Longuet-Higgins [35,37] but still unsolved. Each specular point is born accompanied by a partner, prompting this question: For a random moving water surface, what fraction R of specular points dies by annihilation with the partner it was born with? This property can be called ‘lifelong fidelity’. The fraction R is different for different types of randomness. It seems a hard problem even for the simple case of isotropic monochromatic

Figure 5. Images of the sun (specular points) sparkling on the water in Bristol docks.

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[2.12]  257 6

M.V. Berry

(a) z

To illustrate lifelong fidelity, or lack of it, I start with a stationary surface given by a random superposition of N sinusoids:

xe ,h

f0 ð x Þ ¼

t

f(x) (b)

N X n¼0

cosðkn x þ /n Þ:

(13)

Figure 6(a) illustrates the caustics for a sample function of this type, with N = 5. If the water moves rigidly, represented by

(c)

f1 ðx; t Þ ¼ f0 ðx � t Þ;

(14)

1 f2 ðx; t Þ ¼ ðf0 ðx � t Þ þ f0 ðx þ t ÞÞ: 2

(15)

then the caustics translate rigidly sideways and it is obvious that there is no lifelong fidelity (Figure 6(b)). Non-rigid motion can be represented by two interfering oppositely moving waves:

x Figure 6. (a) Reflection caustics above a water surface (13). (b) Space–time plot of evolving images, for the rigidly moving surface (14), with births of image pairs indicated by red dots and deaths by green dots; (c) As (b) for the interfering waves (15), with the loops indicating images enjoying lifelong fidelity.

Gaussian randomness, because it requires statistics nonlocal in both space and time. To get a little insight, I illustrate the problem by considering the simpler case of a corrugated water surface generating a reflected wavefront with height f(x) depending on a single variable x (the height of the water surface is proportional to f(x)). For the eye located at (xe, h), the optical path distance from a point x on the water surface is (for surfaces with gentle slopes), qffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi Uðx; xe ; h; t Þ ¼ ðh � f ðx; t ÞÞ2 þ ðx � xe Þ2 ðx � xe Þ2 : (9) � h � f ðx; t Þ þ 2h The specular points xn, i.e. the rays, are the paths for which this function is stationary: rays: @x U ¼ 0 ) x � hf 0 ðx; t Þ ¼ xe ) x ¼ fxn ðxe ; h; t Þg:

(10)

Therefore, the moving images are represented by the locus x � hf 0 ðx; t Þ ¼ xe

(11)

in the (x, t) plane. The caustics at time t are the curves @x2 U ¼ 0 ) z ¼

10480-02-12.indd 257

1 ) zðxe ; h; t Þ: f 00 ðx; t Þ

(12)

Now, some of the caustics move back and forth or up and down, and most images enjoy lifelong fidelity (closed loops in Figure 6(b)); for a single sinusoid (N = 1), all caustics in f2(x, t) move up and down and lifelong fidelity is universal. For the two-dimensional case, Longuet-Higgins presents a time exposure showing paths of specular points on the water surface [35]. Some of the paths are closed loops, but in contrast to the space–time plots in the corrugated case, these do not always correspond to lifelong fidelity. This is a rich subject for further analytical study and numerical experiment. 4. Mirages, green flashes: light bent and dispersed by air Air bends light. One consequence, again involving caustics in an essential way, is the mirage, most commonly seen on a hot day when distant cars appear reflected from the surface of a long, straight road. As is well known [3,4,40], this is really refraction masquerading as reflection: bending by the gradient of refractive index, increasing from the hot road surface to the cooler air above (Figure 7). On the simplest theory, the index depends weakly on height z: nð zÞ ¼ 1 þ DnðzÞ;

DnðzÞ � 1:

(16)

From Snel’s law, the direction and curvature of a ray are given by nðzÞ cosðhð zÞÞ ¼ nðzmin Þ ) z00 ð xÞ � Dn0 ð zÞ;

(17)

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258   A Half-Century of Physical Asymptotics and other Diversions Contemporary Physics

7

(a)

z index 1+ (z)! increasing

zmin

xmin

x

one image

two images caustic

hot ground Figure 7. (20).

Mirage rays (20) for the monotonic index profile

where zmin is the height where the ray is horizontal. For constant index gradient, i.e. n(z) locally linear, this leads to parabolic ray paths:

(b)

z

n(z)

1

3

5

7 x

numbers of images

1 (18) Dnð zÞ ¼ Az ) z ¼ zmin þ Aðx � xmin Þ2 : 2 (A curious sidelight on history: this simple explanation has been challenged several times over more than two centuries, on the grounds, based on a misunderstanding of Snel’s law, that once a ray becomes horizontal, it could never curve upwards again [41].) Figure 7 shows the family of ray paths from a point source, with a more realistic index function, increasing from 1 + Δ0 at the ground to 1 + 2Δ0 above: � � z �� DnðzÞ ¼ D0 2 � exp � : (19) L

The rays can be determined analytically: � z � 1 min � x � xmin ¼ pffiffiffiffiffiffiffiffi exp � L 2D0 rffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi � � � z � z �ffi�� min z � zmin þ 2L log 1 þ 1 � exp � L (20)

Each ray from the source corresponds to a different choice of xmin and zmin determined by its initial slope. The caustic of the family is clearly visible. It separates eye positions below the caustic, from which the source is invisible, from positions above, where two images can be seen. (Some rays from the source hit the ground, giving rise to an additional boundary in Figure 7: a shadow edge separating the two-image region above the caustic from a one-image region higher still.) The caustic has a further significance. Each point of a distant object emits its own family of rays, so the complete object emits a family of families of rays. With the

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Figure 8. (a) Mirage with three images, formed by refraction near a hot wall (adapted from W. Hillers, Phys. Z. 14 (1913), 719–723, reproduced in [3]). (b) Mirage rays (22) in a duct, for the index profile (21) possessing a maximum.

eye in a fixed position, the parts of the object that can be seen, bounded below by the ‘vanishing line’, are those whose caustics lie below the eye. Sometimes, more than two mirage images are visible; Figure 8(a) shows a case where there are three [3]. Such multiple images can arise when the index is not a monotonic function of height, or from undulations of the surface; refractive indices with a maximum generate a duct, where in principle any number of images can be seen. A solvable example is � � �� DnðzÞ ¼ A cos az ) z00 ð xÞ ¼ � Aa sin zðaxÞ (21) fj zj\ap; zð0Þ ¼ 0; z0 ð0Þ � h0 g; for which, the rays, illustrated in Figure 8(b), involve the Jacobian elliptic functions sn and am [42]: � pffiffiffi! � pffiffiffi! xh0 �� 2 A xh0 �� 2 A �1 zð xÞ ¼ 2asin sn : ¼ 2a am 2a � h0 2a � h0 (22)

For more on the topology of images, see [43,44]. Mirages involve local bending of light, with the layer of heated air a few centimetres high and horizontal distances of a few hundred metres. On a much larger scale, the entire atmosphere of the spherical earth can be

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regarded as a lens, with index decaying to unity over a height of a few kilometres. The resulting bending elevates the image of the sun by slightly more than its own diameter (about 1/2°), so we can see it immediately before sunrise and after sunset, when it is just below the horizon. The earth-lens suffers from chromatic aberration because the bending is weakly dispersive, with the blue being refracted more than the red. This causes the green image of the setting sun to be above the red image by about 10 arcsec, giving rise to the occasionally visible striking phenomenon of the green flash [45,46] (the blue sunlight has been scattered to make the blue sky). Important modifications of this basic explanation arise from the fact that the dispersion need not be a monotonic function of height (e.g. when there is an inversion layer) [46]. More effects of the earth-lens will be examined in the next section.

the earth’s atmosphere (Figure 9(b)). This eclipse light corresponds to all the simultaneous sunrises and sunsets on the earth, blood-reddened by double passage through the atmosphere. These two earthlights are of very different origins. Nevertheless, casual viewing suggests that the brightness of the earth-lit moon is roughly similar in the two cases. In this section, I outline calculations supporting this observation. At new moon, the sun illuminates the disc of the earth that faces the moon. The earth’s albedo A denotes the fraction of this light that is diffusely reflected into (approximately) a hemisphere of the sky. Most of it disappears into space, but a small fraction hits the moon. Neglecting obliquity effects, the fraction of sunlight incident on the earth that lights up the new moon is (Figure 9(a))

Fnew ¼ A 5. Earthlight on the moon: astronomical coincidences There are two circumstances in which we see the moon lit from the earth. Near new moon (Figure 9(a)), the part of the moon’s disc that is hidden from the sun can be seen in the pale ghostly light reflected by the earth – also called ‘earthshine’ or ‘the old moon in the new moon’s arms’. And in the opposite situation, during a lunar eclipse, the moon can still be seen, even though it is within the earth’s shadow, in light refracted onto it by

(a)

from Sun

During a lunar eclipse, the sunlight reaching the moon corresponds to a thin annulus of height hc, below which rays passing close to the earth’s surface are bent onto the moon (Figure 9(b)). During its passage through the atmosphere, this light is attenuated by a factor α. Thus, the fraction of incident sunlight that lights up the eclipsed moon is

Feclipse ¼ a

2phc re 2ahc ¼ : pre2 re

re Dm

R�

2 Fnew Arm re ¼ : Feclipse 4ahD2m

(24)

(25)

Some of the required numbers are re ¼ 6371 km; rm ¼ 1737 km; Dm ¼ 384,000 km; A � 0:3:

(b)

h hc

refracted earthlight c

from Sun

f

0

Moon

Earth

Figure 9. (a) The old moon in the new moon’s arms: earthlight reflected onto the moon at new moon. (b) earthlight refracted onto the moon during a lunar eclipse.

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(23)

We need to calculate the ratio of these two earthlights, namely

earthlight

rm

2 prm Ar2 ¼ m: 2pD2m 2D2m

(26)

In addition, we need hc and α. To calculate hc, we need the angular deflection of sunrays passing the earth at height h above the ground. This can be calculated from Snel’s law, but it is simpler to use the observed deviation θ0 of a ground-grazing ray (twice the elevation of the setting sun) and assume an exponential atmosphere with scale height H. Thus   h hðhÞ ¼ h0 exp � ; L ¼ 8 km; h0 ¼ 1:18� ¼ 0:0206: L (27)

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260   A Half-Century of Physical Asymptotics and other Diversions Contemporary Physics An interesting related fact (apparently first noticed by John Herschel) is that the focal length of the earth-lens, determined by the distance from the earth that a grazing ray crosses the sun–earth axis, is relatively close to the moon: f ¼

re ¼ 309,349 km ¼ Dm � 74,650 km: h0

(28)

It is easy to show that this grazing ray hits the moon after crossing the axis at the focus. Non-grazing rays do not cross at the focus (the earth-lens has powerful spherical aberration), and hc is determined by the deflection which hits the moon’s edge (Figure 9(b)): � � re � rm h0 D m ¼ 4:28 km: (29) ) hc ¼ L log hc ¼ Dm re � rm

The final number we need is the attenuation α. This is the square of the attenuation of the setting sun, namely the brightness of the setting sun relative to the unattenuated (roughly noonday) sun. We know it is a small number because we can gaze at the setting sun but not the noonday sun. α is small, but it is not zero, indicating (if proof were needed) that the earth is not flat: if it were, the sun setting over the faraway edge of the world would be invisible. In reality, α is enormously variable and involves both scattering and absorption. But we can estimate it from first principles using the following formula for the ground-level attenuation per unit distance, resulting from scattering in clear air [47], in terms of λ, refractive index deviation Δ0 = n − 1 and the molecular particle density N: � � 2 2p 4 D0 2 : (30) c0 ¼ N 3p k

9 R¼

2 Arm re � � Dm 2 4aDm L log rhe0�r m

� 3:4:

(33)

This number should not be taken seriously as a precise estimate. But it does indicate that the two very different illuminations of the moon by the earth – at new moon from the brightly lit ‘full earth’ when most of the light is squandered into space, and during a lunar eclipse when the thin annulus of deflected light is efficiently focused onto the moon – are of comparable strengths. For an interesting related discussion of the visibility of the horizon at different heights, see [48]. 6. The glory: focusing that vanishes geometrically The optical glory is a halo around the shadow of an illuminated observer’s head cast by the sun on a cloud or mist-bank (Figure 10). Nowadays, it is most commonly seen while flying in sunshine, looking down at the airplane’s shadow on a cloud below. It took several centuries for this beautiful phenomenon to be fully understood [14,49], following its first recorded observation [4],

Reasonable numbers give k ¼ 5 � 10�7 m; D0 ¼ 0:000292; N ¼ 2:5 � 1025 m�3 ) c0 ¼ 1:8 � 10�2 km�1 :

(31)

Using this to calculate the exponential attenuation of a ray passing at height h and averaging from h = 0 to h = hc, gives a¼

1 hc

Zhc 0

� � �� pffiffiffiffiffiffiffiffiffiffiffiffi h dh exp �c0 2pLre exp � L

¼ 6:8 � 10�4 ¼ ð0:0261Þ2 :

(32)

(The square root 0.0261 is an estimate – apparently reasonable – of the attenuation of the setting sun: about 16 dB.) Thus, finally we get, from (25), the ratio of earthlight intensities:

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Figure 10. Glory around the shadow of the author’s head on a cloud below Erice, Sicily, from light illuminating a temple in the village above.

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because its explanation involves subtle connections between concepts usually regarded as separate. First, note that since the glory appears at the edge of the observer’s shadow on a cloud, it must be a backscattering phenomenon associated with water droplets. It involves reflection from individual drops and so should not be confused with the much weaker Anderson localisation, which is back-scattering enhancement arising from the coherent interference of light multiply scattered by many droplets [50,51]. Imagine (counterfactually as it will turn out) that there is a light ray, incident non-axially (i.e. with finite impact parameter x) that enters the droplet, gets reflected once inside, and then emerges precisely backwards, i.e. with deflection D(x) = π (Figure 11(a)). Rays near this x will cross the symmetry axis, and associated with this rotational symmetry would be an entire ring of such rays, giving rise to focusing in the backward direction [47]: an axial caustic, represented by the singularity from 1/sin D in (4) when D = π. It follows from (1) that such a ray exists with impact parameter x if the index n is pffiffiffi x 2 (34) Dð xÞ ¼ p ) nð xÞ ¼ pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi pffiffiffiffiffiffiffiffiffiffiffiffiffi : 1 � 1 � x2

axis-crossing rays form line caustic

grazing ray

surface waves evanescent diffracted rays

Figure 11. (a) Rays emerging backwards from a transparent sphere with index n = 1.7, and crossing the symmetry axis to form a focal line. (b) Diffracted rays creeping round the surface of a water droplet, generating the dominant contribution to the glory when they cross the symmetry axis.

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� � � � 1 �p Dðx ¼ 1Þ ¼ p � 4 sin�1 n 4 ) 180� � 14:36� if n ¼ : 3

(35)

To accommodate the 14° shortfall, some of the emerging light gets trapped into a surface wave that creeps around the surface of the droplet, radiating tangentially while doing so (Figure 11(b)) and reaching D = 180° and beyond. These axis-crossing evanescent surface waves form the backward caustic and contribute to the glory. According to this mechanism, the back-scattered intensity Ib, for light wavelength λ and drop radius a, is [14,49]

Ib �

(a)

(b)

As x increases from 0 to 1, n(x) decreases from 2 to √2. But the refractive index of water, approximately 4/3, lies outside this range, so there are no axis-crossing rays: the glory enhancement cannot be explained as a focusing effect within geometrical optics. (Backward ray focusing from spheres of glass or plastic with indices in the range √2 < n < 2, finds application in retro-reflecting paint.) To understand the true mechanism of nature’s glory, we note that although the rays do not reach the backward direction for water, they get close. For the grazing rays, with x = 1, the deflection is

�a�8=3 k

� �a�1=3 � exp �constant ; k

(36)

in which the first factor describes axial focusing, the exponential represents the decay as the creeping wave skips the 14° while radiating, and the powers 1/3 come from the fact that the surface is a caustic of the creeping waves. A full analysis of electromagnetic waves scattered from transparent spheres [49,52] reveals great complexity beyond the creeping-and-focusing picture. This includes: waves skipping many times inside the drop before emerging, causing high-order backward rainbows; very fine angle- and size-dependent interference oscillations; and delicate polarisation effects. But the exponential angular decay is a dominant feature, described analytically in terms of complex angular momentum: an unexpected application to this natural phenomenon of the Regge poles (complex angular-momentum singularities) devised to explain the quantum scattering of elementary particles. From (36), we see that the intensity vanishes for large droplets because the focusing enhancement is cancelled by the evanescence (decay during the 14° skip) and also for very small droplets, where the focusing is softened by diffraction. That is why the glory is observed in the small droplets occurring in clouds or mist, but not in rain where the droplets are bigger.

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262   A Half-Century of Physical Asymptotics and other Diversions Contemporary Physics Summing up: the glory is a focusing effect that vanishes in the geometrical-optics limit. 7. Hidden daylight: polarisation singularities in the sky A fundamental aspect of light waves is that they are electromagnetic. Therefore, they can be polarised. But we (unlike some other animals) possess only the most rudimentary perception of polarisation, blinding us to a beautiful polarisation pattern decorating the daylight sky above us [53]. Although sunlight arrives unpolarised, the Rayleigh (dipole) scattering from air molecules that is responsible for the blue sky induces polarisation [3]. Scattered sunlight is strongly polarised perpendicular to the sun (as can immediately be verified with a polarising sheet), whereas forward and back-scattered sunlight remains unpolarised. If sunlight were scattered only once, daylight would be unpolarised in the direction of the sun and in the opposite direction, namely the anti-sun (visible before sunrise and after sunset). But in reality, the number of unpolarised points (directions) in the sky is not two, but four: several degrees above and below the sun and the anti-sun. Three were observed in the nineteenth century and the fourth, below the anti-sun, was seen only recently, from a balloon [54]. The reason for four is that each single-scattering unpolarised direction is split into two by multiple scattering. The sky is decorated by a pattern of polarisation directions (e.g. of the electric vector of daylight) organised by these four points, only two of which are visible

(a)

11

at any time. Figure 12(a) shows the pattern at a time when the sun is in the indicated position. The key to understanding it, discovered only relatively recently [55] by emphasising something lacking in a tradition of elaborate multiple-scattering theory [56–58], is geometric: the realisation that the unpolarised points are polarisation singularities: places where the direction of polarisation is undetermined. Near each singularity, the geometry is that of a ‘fingerprint’, around which the polarisation direction turns by 180°. The turn is 180°, rather than 360°, because a half-turn leaves polarisation unchanged: polarisation is not a vector, but a direction without a sense (though, of course, it is a consequence of the vector nature of light). And the turn, in the same sense as each unpolarised point is encircled, means that the singularity index is +1/2, rather than −1/2. Since there are four unpolarised points, the total index on the sphere of sky directions is +2, consistent with the Poincaré–Hopf theorem [59]: any smooth direction field on a sphere must have index +2. The quantitative description of the pattern is provided by representing the polarisation by a complex function of sky direction, with zeros at the four unpolarised points. The simplest such function is a quartic polynomial and leads to the following theory [55]. The sky direction corresponding to elevation θ and azimuth ϕ is also represented, in stereographic projection, by a complex number: 

f ¼ x þ iy ¼ 

 1 � tan 12 h  expði/Þ: 1 þ tan 12 h

(37)

(b)

Figure 12. Line segments: observed directions of polarised daylight in the day sky; full curves: theory (39). (a) Line segments randomised within each cell of the measurement grid. (b) Line segments before randomisation, as originally published [55].

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In this projection of the sky onto a plane, the visible hemisphere is represented by the unit disc whose centre is the zenith and boundary is the horizon. For sun elevation α and splitting δ of each singularity pair, we define � � 1 � tan 12 a 1 f þ iys � ; A ¼ tan d; ft ¼ : (38) ys ¼ � 1 1 þ ifys 4 1 þ tan 2 a

Then, there is a function f(x, y) whose contours are parallel to the polarisation direction at the sky point (x, y), namely Zft

du pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi �ðu2 þ A2 Þðu2 þ A�2 Þ � � � � if ¼ AImF sin�1 t ; A2 ; A

f ðx; yÞ ¼ Im

(39)

in which F is the Legendre elliptic integral of the first kind [44]. As Figure 12(a) illustrates, this theory, based on the elliptic integral in the sky, gives a very accurate description of the observed polarisation pattern. Unfortunately, the picture published in the paper [55] reporting the theory and experiment was not Figure 12(a) but Figure 12(b), which looks rather different. In fact, both pictures represent exactly the same data. In Figure 12(b), the experimental line segments representing the polarisation directions are centred on the point of the rectangular grid on which they were measured; the eye is drawn to the grid, rather than the directions of the line segments. A simple way to eliminate this misleading perception (understood only after Figure 12(b) was published) is to randomise the positions of the line segments within each unit cell of the grid. The result is Figure 12(a): the grid is no longer visible, and the agreement between theory and experiment is much clearer. An interesting and controversial speculation [60,61] is that the Vikings, in their tenth-century voyages between Norway, Iceland and what is now Canada, might have used the sky polarisation pattern in conjunction with natural birefringent crystals (e.g. Iceland spar), as an aid to navigation.

8. Light in crystals: Hamilton’s cone Many natural transparent crystals are optically anisotropic and so are obvious materials for light to exhibit its polarisation properties. In each direction in such a crystal, two plane waves can travel, with orthogonal polarisations and different refractive indices [62]. A polar plot of the refractive indices in direction space generates the twosheeted ‘Fresnel wave surface’, or, as we would call it now, the momentum-space contour surfaces of the Hamiltonians governing each of the two waves. In the most general crystals, all three principal dielectric constants are different, and, as Hamilton discovered [63,64], they

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intersect at four points on two ‘optic axes’. The intersections take the form of double cones (diabolos). There is beautiful physics associated with Hamilton’s cones. In 1830, Hamilton himself made the first physical prediction based on his concept of phase space: that light incident on a thick slab of crystal along an optic axis would spread into a cone and emerge as a hollow cylinder. The immediate experimental observation of ‘conical refraction’ by his colleague Lloyd [65–67] created a sensation and brought instant fame to the young Hamilton. This story is described elsewhere [68], together with its modern developments. A different (and more easily reproduced) demonstration of the cone geometry is illustrated in Figure 13. This shows the diffuse light of the sky viewed through a ‘black light sandwich’ [69]. The ‘bread’ consists of two crossed polarising sheets, and would allow no light to pass if there were nothing between them. But between the sheets is the ‘filling’ of the sandwich, consisting of a sheet of overhead projector transparency film: a material which, though not crystalline, is biaxially anisotropic. The simplest theory explaining the ‘conoscopic’ Figure 13 is the following. Light passing through the transparency ‘crystal’ in directions, close to the optic axis, specified by coordinates (x, y) = r(cos ϕ, sin ϕ) and propagating along z, can be described by a two-component vector jwi representing the linear polarisation amplitudes along directions perpendicular to z. The evolution of the polarisation as the light passes through the transparency, whose thickness is l, is determined by a Schrödinger-lookalike equation, written for wavenumber k, i ^ jwi; @z jw i ¼ H k � � � cos / ^ ¼ y x ¼r H sin / x �y

sin / � cos /



0 6 z 6 l: (40)

^ describes the light in direction (x, y), The Hamiltonian H whose eigenvalues ±r describe the refractive index diabolo, and the eigenvectors are the orthogonal polarizations

^ j�i ¼ �rj�i; jþi ¼ H � � sin 12 / : j� i ¼ 1 � cos 2 /



� cos 12 / ; 1 sin 2 /

(41)

Passing through the sandwich in the sequence ‘polarizer-propagation-analyzer’ is formally analogous to the sequence ‘preparation-evolution-measurement’ for quantum states, and the resulting direction-dependent intensity, representing the view through the sandwich, is

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264   A Half-Century of Physical Asymptotics and other Diversions Contemporary Physics

13

Figure 13. Bull’s eye in the sky above Bristol, photographed through a black light sandwich: biaxially anisotropic overhead-transparency foil between crossed polarizers.

    ^ jpolarizeri2 I ðx; yÞ ¼ hanalyzerjpropagation matrix exp �ikl H  ! 2  1  �ix sinrklr cos lr � iy sinrklr  ¼ ð 0 1 Þ   0  �ix sinrklr cos lr þ iy sinrklr ¼

x2 sin2 klr : r2

(42)

This clearly explains Figure 13. The sin2 factor describes circular interference fringes as the loci of constant separation of the sheets of the diabolo, centred on the ‘bull’s eye’ where the two indices are degenerate. The (x/r)2 factor describes the vertical black ‘brush’, which is ultimately a consequence of the half-angles in (41), according to which the eigenpolarizations change sign (π phase change) in a circuit of the optic axis r = 0. I regard this π-phase change, observed in Lloyd’s 1831 conical refraction experiment, as the first geometric phase, anticipating all of those being studied today [70,71]. And Hamilton’s cone is the prototype of all the conical intersections now being studied in theoretical chemistry [72] and condensed matter physics, and popularly referred to as ‘Dirac cones’ [73]. In my opinion, this is a misnomer: Dirac never drew or even mentioned cones in this context, and the linear dependence of eigenvalues on momentum, leading to the Dirac equation, is exactly the geometry that Hamilton emphasised in the1830s. Conoscopic figures, like Figure 13, are familiar to mineralogists. Several new intensity patterns have been predicted [74], but not yet observed, for crystals that are chiral and anisotropically absorbing as well as biaxially

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birefringent, and with different combinations of polarizer and analyzer.

9. The squint moon: a projection illusion It is possible to see the sun and moon in the sky simultaneously at different periods of the day during each month, provided the sky is clear. The part of the moon’s disc that we see, waxing from crescent to half to gibbous as the moon’s phase changes from new to full, corresponds to our view of the hemisphere that is lit by the sun (Figure 14(a)). Therefore, we might expect the normal to the lit face (i.e. the normal to the line joining the horns of the moon) to point towards the sun. But it does not: the lit face points above the sun, to an extent that increases between new moon and full moon. This is the unexpected and striking ‘squint moon’ phenomenon [75–77]. Its explanation is a combination of geometry and perception. It is obvious that in three-dimensional space, the normal to the lit hemisphere points directly to the sun. Therefore, the squint must be an illusion. It has alternatively been called the New Moon Illusion [78], to distinguish it from the unrelated more familiar moon illusion in which the moon appears large near the horizon. The squint illusion can be immediately dispelled [3] by stretching a string taut close to the eye and orienting it from the moon to the sun. To understand the illusion, we first note that the sun and moon are too distant for our stereoscopic vision to

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M.V. Berry

(a) moon

to sun direction sphere

(b) moon

squint angle

geod

esic

gaze

path

path

Zenith-centred stereographic projection is particularly interesting because on this skyspace the horizon is curved; yet the squint is strong, apparently contradicting claims [75] that the illusion depends on seeing the horizon as straight. It would be interesting to see if the squint persists in space far above the earth, where there is no horizon. In most skyspaces, geodesics on the direction sphere appear projected as curves; stereographic projection is just one example. But Professor Zeev Vager (personal communication) points out an important class of projections for which great circles on the sphere appear as straight lines, namely the perspective (‘pinhole’) projections. For these skyspaces, the squint arises because perspective does not preserve angles: it is not conformal. In particular, the angle in skyspace, between the horns of the moon and the (now straight) line from the sun to the moon, is not 90°.

sun zenith-centred stereographic skyspace ho

riz

on

Figure 14. (a) Moon–sun geometry in space and on the direction sphere. (b) Simulation of the squint moon as seen in ‘skyspace’, modelled by zenith-centred stereographic projection from the direction sphere.

operate, so we cannot perceive their arrangement in three-dimensional space. We cannot see distances; all we can perceive are directions. Each direction can be regarded as a point on an earth- (or eye-) centred unit sphere. On this sphere, the straight line in space joining the sun and moon projects onto a great circle: a geodesic curve. But we do not perceive this sphere directly. Instead, we see objects in the sky, and relations between them, as though projected onto an imaginary screen, roughly flat. Call this ‘skyspace’. The squint moon illusion is related to the projection from the direction sphere onto skyspace. I do not know which projection our visual system chooses, or even if it is the same at different times and for different people. But the illusion is remarkably stable against the change from one projection to another. To illustrate this, Figure 14(b) shows the stereoscopic projection of skyspace according to (37), mimicking how we might see the sky when lying on our back looking up. The squint is very clear: the geodesic connecting the moon and sun on the direction sphere projects onto a circular arc in skyspace, whose tangent at the position of the moon points in a different direction to the straight ‘gaze path’ from the moon to the sun in skyspace.

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10. Concluding remarks: the sky as an optics laboratory It should be clear from my eclectic series of examples that natural optical phenomena illustrate, and have been implicated in the development of, a surprisingly large number of scientific concepts:  Caustics – the singularities of geometrical optics – are central to understanding rainbows, mirages, and the sparkling of light on water.  Numerical experiments played a central part in understanding both the ray and wave aspects of rainbows. Replacing numerical experiments by analysis led to a seminal insight into  Mathematical asymptotics, still being developed now, with new classes of applications.  Dispersion explains the green flash, as well as the rainbow colours in geometrical optics.  Complex angular momentum, in the form of  Regge poles, supplied the key to understanding the glory. Several numerical  Coincidences underlie the comparable brightnesses of the two earthlights on the moon (less familiar than the coincidentally similar angular sizes of the sun and moon, responsible for the spectacle of the solar eclipse).  The blue day sky and natural crystals exhibit the Polarisation singularities being intensively explored as one of the pillars of singular optics.  Geometric phases and  Conical intersections first appeared in crystal optics. And the squint moon exemplifies the  Geometry of visual illusions that mislead our perception.

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266   A Half-Century of Physical Asymptotics and other Diversions Contemporary Physics Acknowledgements I thank Professor Roy Bishop for permission to reproduce Figure 1, Professor Zeev Vager and Mr. Omer Abramson for introducing me to the squint moon illusion and a helpful correspondence, Professor Andrew Young for advice on mirages, and Professors Mark Dennis and Pragya Shukla for their careful readings of the first draft and helpful suggestions.

Notes on contributor Sir M.V. Berry is a theoretical physicist at the University of Bristol, where he has been for nearly twice as long as he has not. His research centres on the relations between physical theories at different levels of description (classical and quantum physics, and ray optics and wave optics). He delights in finding familiar phenomena illustrating deep concepts: the arcane in the mundane.

References [1] J.M. Pernter and F.M. Exner, Meterologische Optik, W. Braunmüller, Wien, 1922. [2] R.A.R. Tricker, Introduction to Meteorological Optics, Elsevier, New York, 1970. [3] M. Minnaert, The Nature of Light and Colour in the Open Air, Dover, New York, 1954. [4] R. Greenler, Rainbows, Halos and Glories, University Press, Cambridge, 1980. [5] D.K. Lynch and W. Livingston, Color and Light in Nature, University Press, Cambridge, 1995. [6] R. Lee and A. Fraser, The Rainbow Bridge: Rainbows in Art, Myth and Science, Pennsylvania State University and SPIE press, Bellingham, WA, 2001. [7] C.B. Boyer, The Rainbow from Myth to Mathematics, Princeton University Press, Princeton, NJ, 1987. [8] D. Park, The Fire within the Eye: A Historical Essay on the Nature and Meaning of Light, University Press, Princeton, NJ, 1997. [9] M.V. Berry and C. Upstill, Catastrophe optics: morphologies of caustics and their diffraction patterns, Prog. Opt. 18 (1980), pp. 257–346. [10] T. Young, The Bakerian lecture: on the theory of light and colours, Phil. Trans. Roy. Soc. 92 (1802), pp. 12–48. [11] T. Young, The Bakerian lecture: experiments and calculations relative to physical optics, Phil. Trans. Roy. Soc. Lond. 94 (1804), pp. 1–16. [12] M.V. Berry, Exuberant interference: rainbows, tides, edges, (de)coherence, Phil. Trans. Roy. Soc. Lond. A 360 (2002), pp. 1023–1037. [13] G.B. Airy, On the intensity of light in the neighbourhood of a caustic, Trans. Camb. Phil. Soc. 6 (1838), pp. 379–403. [14] H.M. Nussenzveig, Diffraction Effects in Semiclassical Scattering, University Press, Cambridge, 1992. [15] G.G. Stokes, On the numerical calculation of a class of definite integrals and infinite series, Trans. Camb. Phil. Soc. 9 (1847), pp. 379–407. [16] G.G. Stokes, On the discontinuity of arbitrary constants which appear in divergent developments, Trans. Camb. Phil. Soc. 10 (1864), pp. 106–128.

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[17] G.G. Stokes, On the discontinuity of arbitrary constants that appear as multipliers of semi-convergent series, Acta Math. 26 (1902), pp. 393–397. [18] M.V. Berry, Uniform asymptotic smoothing of Stokes’s discontinuities, Proc. Roy. Soc. Lond. A422 (1989), pp. 7–21. [19] M.V. Berry, Stokes’ phenomenon; smoothing a Victorian discontinuity, Publ. Math. Institut des Hautes Études scientifique 68 (1989), pp. 211–221. [20] M.V. Berry, Asymptotics, superasymptotics, hyperasymptotics, in Asymptotics Beyond All Orders, H. Segur and S. Tanveer, eds., Plenum, New York, 1992, pp. 1–14. [21] M.V. Berry and C.J. Howls, Divergent series: taming the tails, in The Princeton Companion to Applied Mathematics, N. Higham, ed., University Press, Princeton, NJ, 2015, in press. [22] R.B. Dingle, Asymptotic Expansions: their Derivation and Interpretation, Academic Press, New York, 1973. [23] M.V. Berry and C.J. Howls, Hyperasymptotics, Proc. Roy. Soc. Lond. A430 (1990), pp. 653–668. [24] M.V. Berry and C.J. Howls, Hyperasymptotics for integrals with saddles, Proc. Roy. Soc. Lond. A434 (1991), pp. 657–675. [25] G.V. Dunne and M. Ünsal, Uniform WKB, multi-instantons, and resurgent trans-series, Phys. Rev. D 89 (2014), p. 105009. [26] R.L. Lee, What are ‘all the colors of the rainbow’? Appl. Opt. 30 (1991), pp. 3401–3407. [27] C. Chester, B. Friedman, and F. Ursell, An extension of the method of steepest descents, Proc. Camb. Phil. Soc. 53 (1957), pp. 599–611. [28] M.V. Berry, Uniform approximation for potential scattering involving a rainbow, Proc. Phys. Soc. 89 (1966), pp. 479–490. [29] R. Wong, Asymptotic Approximations to Integrals, Academic Press, New York, 1989. [30] K.W. Ford and J.A. Wheeler, Semiclassical description of scattering, Ann. Phys. (NY) 7 (1959), pp. 259–286. [31] K.W. Ford and J.A. Wheeler, Application of semiclassical scattering analysis, Ann. Phys. (NY) 7 (1959), pp. 287– 322. [32] M.V. Berry, Cusped rainbows and incoherence effects in the rippling-mirror model for particle scattering from surfaces, J. Phys. A 8 (1975), pp. 566–584. [33] M.V. Berry and C.J. Howls, Integrals with coalescing saddles. Chapter 36, in NIST Digital Library of Mathematical Functions, F.W.J. Olver, D.W. Lozier R.F. Boisvert and C.W. Clark, eds., University Press, Cambridge, 2010, pp. 775–793. [34] J.F. Nye, Natural Focusing and Fine Structure of Light: Caustics and Wave Dislocations, Institute of Physics Publishing, Bristol, 1999. [35] M.S. Longuet-Higgins, Reflection and refraction at a random moving surface. I. Pattern and paths of specular points, J. Opt. Soc. Amer. 50 (1960), pp. 838–844. [36] M.S. Longuet-Higgins, Reflection and refraction at a random moving surface. II. Number of specular points in a Gaussian surface, J. Opt. Soc. Amer. 50 (1960), pp. 845–850. [37] M.S. Longuet-Higgins, Reflection and refraction at a random moving surface. III. Frequency of twinkling in a Gaussian surface, J. Opt. Soc. Amer. 50 (1960), pp. 851–856. [38] M.V. Berry and M.R. Dennis, Phase singularities in isotropic random waves, Proc. Roy. Soc. A 456 (2000), pp. 2059–2079, corrigenda in A456 p3048.

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[39] M.V. Berry and M.R. Dennis, Polarization singularities in isotropic random vector waves, Proc. Roy. Soc. Lond. A457 (2001), pp. 141–155. [40] A.T. Young, An introduction to mirages, 2012. Available at: http://mintaka.sdsu.edu/GF/mirages/mirintro.html. [41] M.V. Berry, Raman and the mirage revisited: confusions and a rediscovery, Eur. J. Phys. 34 (2013), pp. 1423–1437. [42] DLMF, NIST Handbook of Mathematical Functions, University Press, Cambridge, 2010. Available at: http://dlmf. nist.gov. [43] W. Tape, The topology of mirages, Sci Am. 252 (1985), pp. 120–129. [44] M.V. Berry, Disruption of images: the caustic-touching theorem, J. Opt. Soc. Amer. A4 (1987), pp. 561–569. [45] D.J.K. O’Connell, The Green Flash and Other Low Sun Phenomena, Vatican Observatory, Rome, 1958. [46] A.T. Young, Annotated bibliography of atmospheric refraction, mirages, green flashes, atmospheric refraction, etc., 2012. Available at: http://mintaka.sdsu.edu/GF/bib liog/bibliog.html. [47] H.C. van de Hulst, Light Scattering by Small Particles, Dover, New York, 1981. [48] C.F. Bohren and A.B. Fraser, At what altitude does the horizon cease to be visible? Am. J. Phys. 54 (1986), pp. 222–227. [49] H.M. Nussenzveig, High-frequency scattering by a transparent sphere. II. Theory of the rainbow and the Glory, J. Math. Phys. 10 (1969), pp. 125–176. [50] R. Lenke, U. Mack, and G. Maret, Comparison of the ‘glory’ with coherent backscattering of light in turbid media, J. Opt. A 4 (2002), pp. 309–314. [51] C.M. Aegerter and G. Maret, Coherent backscattering and Anderson localization of light, Prog. Opt. 52 (2009), pp. 1–62. [52] H.M. Nussenzveig, High-frequency scattering by a transparent sphere. I. Direct reflection and transmission, J. Math. Phys. 10 (1969), pp. 82–124. [53] G. Horvath, J. Gal, and I. Pomozi, Polarization portrait of the Arago point: video-polarimetric imaging of the neutral points of skylight polarization, Naturwiss 85 (1998), pp. 333–339. [54] G. Horváth, B. Bernáth, B. Suhai, and A. Barta, First observation of the fourth neutral polarization point in the atmosphere, J. Opt. Soc. Amer. A. 19 (2002), pp. 2085–2099. [55] M.V. Berry, M.R. Dennis, and R.L.J. Lee, Polarization singularities in the clear sky, New J. Phys. 6 (2004), p. 162. [56] S. Chandrasekhar and D. Elbert, Polarization of the sunlit sky, Nature 167 (1951), pp. 51–55. [57] S. Chandrasekhar and D. Elbert, The illumination and polarization of the sunlit sky on Rayleigh scattering, Trans. Amer. Philos. Soc. 44 (1954), pp. 643–728. [58] J.H. Hannay, Polarization of sky light from a canopy atmosphere, New. J. Phys 6 (2004), p. 197. [59] V. Guillemin and A. Pollack, Differential Topology, Prentice-Hall, Englewood Cliffs, NJ, 1974. [60] R. Hegedüs, S. Åkesson, R. Wehner, and G. Horváth, Could Vikings have navigated under foggy and cloudy

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[61] [62] [63] [64] [65] [66] [67] [68] [69] [70] [71] [72]

[73]

[74] [75] [76] [77] [78]

conditions by skylight polarization? On the atmospheric optical prerequisites of polarimetric Viking navigation under foggy and cloudy skies, Proc. Roy. Soc. A 463 (2007), pp. 1081–1095. L.K. Karlsen, Secrets of the Viking Navigators, One Earth Press, Seattle, WA, 2003. M. Born and E. Wolf, Principles of Optics, Pergamon, London, 2005. W.R. Hamilton, Third supplement to an essay on the theory of systems of rays, Trans. Roy. Irish. Acad. 17 (1837), pp. 1–144. J.G. Lunney and D. Weaire, The ins and outs of conical refraction, Europhysics News 37 (2006), pp. 26–29. H. Lloyd, On the phaenomena presented by light in its passage along the axes of biaxial crystals, Phil. Mag. 2 (1833), pp. 112–120 and 207–210. H. Lloyd, Further experiments on the phaenomena presented by light in its passage along the axes of biaxial crystals, Phil. Mag. 2 (1833), pp. 207–210. H. Lloyd, On the phenomena presented by light in its passage along the axes of biaxial crystals, Trans. Roy. Irish. Acad. 17 (1837), pp. 145–158. M.V. Berry and M.R. Jeffrey, Conical diffraction: Hamilton’s diabolical point at the heart of crystal optics, Prog. Opt. 50 (2007), pp. 13–50. M.V. Berry, R. Bhandari, and S. Klein, Black plastic sandwiches demonstrating biaxial optical anisotropy, Eur. J. Phys. 20 (1999), pp. 1–14. M.V. Berry, Quantal phase factors accompanying adiabatic changes, Proc. Roy. Soc. Lond. A392 (1984), pp. 45–57. A. Shapere and F. Wilczek, Geometric Phases in Physics, World Scientific, Singapore, 1989. L.S. Cederbaum, R.S. Friedman, V.M. Ryaboy, and N. Moiseyev, Conical intersections and bound molecular states embedded in the continuum, Phys. Rev. Lett 90 (2003), pp. 013001-1-4. E. Kalesaki, C. Delerue, C. Morais Smith, W. Beugeling, G. Allan, and D. Vanmaekelbergh, Dirac cones, topological edge states, and nontrivial flat bands in two-dimensional semiconductors with a honeycomb nanogeometry, Phys. Rev. X 4 (2014), p. 011010. M.V. Berry and M.R. Dennis, The optical singularities of birefringent dichroic chiral crystals, Proc. Roy. Soc. A. 459 (2003), pp. 1261–1292. B. Schölfopf, The moon tilt illusion, Perception 27 (1998), pp. 1229–1232. H.J. Schlichting, Schielt der Mond? Spektrum der Wissenschaft (2012), pp. 56–58. G. Glaeser and K. Schott, Geometric considerations about seemingly wrong tilt of crescent moon, KoG (Croatian Soc. Geom. Graph.) 13 (2009), pp. 19–26. B.J. Rogers and S.M. Anstis, The new moon illusion, in The Oxford Compendium of Visual illusions, A.G. Shapiro and D. Todorovic, eds., Oxford University Press, New York and Oxford, 2014, in press.

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Weird natural phenomena: T idal bor e s

Michael Berr y

Chasing the Silver Dragon

Occurring on only a few dozen rivers around the world, tidal bores are as rare as they are intriguing. Michael Berry outlines the science behind this natural phenomenon and describes his sighting in China of one of the most spectacular bores of them all One of the great sights of the Bristol area in the UK is the tidal bore on the River Severn – a wave that steepens and grows as the tide advances inland towards the city of Gloucester. Marking the beginning of the incoming tide, this giant wave is pulled up-river by the Moon’s gravity. I like to see the bore at night. As it approaches, the effect of the distant but then growing roar is magical – and there is plenty of light from Gloucester (and from the Moon when it is visible) to watch the bore as it passes by. We can enjoy the spectacle of the bore, but understanding it raises some questions. Why are there two tides each day – not just one, in the water on the side of the Earth that faces the Moon? Of the more than 700 tides each year, why does a bore on the Severn occur during at most 50 of them, rather than all? And why does the Moon play a role anyway, given that the Sun’s gravity is nearly 200 times stronger? The fundamental fact is that the force that raises P hy sic s Wor ld July 2015

the tide is not simply the gravity from the Moon and the Sun. It would be, if the Earth were held fixed in space by an imaginary cosmic vice. But the solid Earth is not fixed; it moves in an orbit round the Sun, perturbed by a slight wobble caused by the Moon. The tide-raising force is the difference between the force on the water and the force on the solid Earth. And the force attracting the water on the side of the Earth facing the Moon is greater than that on the solid Earth, while the force on the water on the side of the Earth away from the Moon is less than that on the solid Earth (figure 1a). The tide-raising force therefore points outwards, leading to two tidal bulges on opposite sides of the Earth (figure 1b). As the Earth turns, a given geographical location experiences a bulge twice each day, leading to the two tides. Quantitatively, the tideraising force is the gradient of the forces from the Sun and Moon: it is therefore an inverse-cube force

Michael Berry is professor emeritus at the H H Wills Physics Laboratory, University of Bristol, UK, michaelberryphysics. wordpress.com

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‘Chasing the Silver Dragon’ by Berry, Michael, 2015, Physics World (July), 45-47. © IOP Publishing. Reproduced with permission. All rights reserved.

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1 What makes a tidal bore? a

forces on the Earth and water Moon

far side Moon side – – = = forces on the water minus forces on the Earth tide-raising forces

b

c

high tide

ebbing

bore

rising normal

w

river flo

10 m

50 km (a) Water on our planet is pulled more strongly towards the Moon on the side of the Earth facing the Moon than on the side facing away because the latter is further away (red arrows). The lunar pull on the solid Earth lies between these extremes (black arrow). (b) Subtracting the pull on the Earth from the pull on the water leads to net outward forces (purple), which cause twice-daily tidal bulges. As the Earth turns (black arrow), different places experience the tides at different times. (c) The profile of a typical bore flowing along a river at high tide (brown) shown not to scale. At the places where the arrows are, the tide is either rising (flowing in) or ebbing (flowing out).

from each, rather than the familiar inverse-square. And this tide-raising force from the Moon is about twice that from the Sun. The half-strength tidal force from the Sun is far from negligible and makes the height of the tides sensitive to astronomical alignments. Tides are stronger when the Sun and Moon are almost in line: at full and new Moon, and when the inclined orbit of the Moon intersects that of the Earth along a line pointing to the Sun. The effect is enhanced when the Moon and Earth are closest to their parent bodies along their

The arrival times and heights of bores cannot be predicted precisely, as these are sensitive to the amount of water already flowing downriver 46

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elliptical orbits. Unlike eclipses and other astronomical phenomena, the arrival times and heights of bores cannot be predicted precisely, because these are sensitive to the amount of water already flowing downriver. (Don’t therefore be fooled by seemingly precise arrival-time predictions you can find online.) The most impressive bores occur at particularly high tides after a period when there has been no rain for several days. The familiar tides at the seashore rise and fall gradually, over several hours. (The waves we see breaking on the shore are caused by winds, not tides.) What is different about rivers that host tidal bores – making bores sensitive to geography as well as astronomy – is that they are open to a large ocean and get narrower and shallower over a long distance upstream. The speed of waves on water is limited by the depth: √(gh), where g is the acceleration due to gravity and h the depth. The crest of the tide as it travels upriver gets deeper than the trough, so it travels faster, generating a wave that gets steeper, eventually with a fairly sharp front (figure 1c). This difference of speeds between the crest and trough is a simple example of nonlinearity – the mathematical phenomenon that underlies all fluidmechanical analyses of the formation and shape of the bore. But no mathematical treatment has captured the variety of shapes of the bore at different places along the river. The wave can break, tumbling as it crashes against the banks. Elsewhere, the bore advances upstream in a stately procession of smooth waves behind the front; under moonlight, its mirror surface gleams like liquid mercury. Mathematical models emphasize different features, for example as a moving shock wave, smoothed with a few undulations behind. One question people often ask is whether a bore is a soliton. The answer is no, because a soliton is a wave whose height is the same on both sides of its peak, whereas the arrival of a bore is the beginning of the tide: the water is deeper behind the bore than in front of it. A striking aspect of a bore is that after it passes, as the tide continues to rise for about an hour, the river flows backwards – upstream but downwards. The smooth downstream flow before the bore passes contrasts with the wildly turbulent tide rushing upstream afterwards.

Destination China The tidal bore on the River Severn is caused by the extraordinary tidal range in the Bristol Channel into which it flows. It is the world’s second highest, and can be as much as 17 m. The associated bore starts about 20 km upstream from the road bridges linking England and Wales at the mouth of the Severn and continues for another 20 km, and its height rarely exceeds 1 m. In the UK there are several other bores – on the rivers Parrett near Bridgwater and Dee near Chester, for example. In France, there used to be a bore on the Seine near Caudebec-en-Caux, le mascaret, but this largely disappeared after extensive dredging in the 1960s. In Brazil, the pororoca is a dramatic bore on the Amazon and some of its tributaries, holding the world record for long-distance P hy sic s Wor ld July 2015

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270   A Half-Century of Physical Asymptotics and other Diversions Weird natural phenomena: T idal bor e s Both images: Michael Berr y

phy sic s wor ld.com

Dramatic sight Huge crowds watch the Silver Dragon bore from the banks of the Qiantang (left) but you have to get up close to see details such as reflection (right).

surfing: about 12 km. In September last year, however, I was privileged to see the world’s largest tidal bore: the “Silver Dragon” near Hangzhou in south-east China, on the Qiantang river, the mouth of which opens out towards Shanghai. My host was Huan-Qiang Zhou, a physicist from Chongqing, a thousand miles to the west, whom I knew through the Journal of Physics A, which is published by the Institute of Physics (along with Physics World). Hangzhou is his home city and Zhou’s generous arrangements involved finding a local “fixer” who booked our hotels and meals, selected prime locations to view the bore, and decided on the best times to do so. Tidal bores occur roughly twice a day, separated by a gap of 12 hours and 25 minutes. We saw the Silver Dragon six times: by day and by night over three days. It is a major tourist attraction; local media estimated that on the day of the biggest bore, more than 100 000 people lined the banks to watch it, and at prime locations our host had to buy tickets to reach the river bank. I saw no non-Chinese people other than the Australian physicist who accompanied us. As with the Severn bore, you hear the low roar of the wave before you see it. The Qiantang river is almost 3 km wide, in contrast with the mere 50 m width of the Severn near Gloucester, so the wave is louder, and the roar is audible a full 20 minutes before the bore is glimpsed as a thin white line in the distance. There is great anticipation as the angry wave approaches, before a shout goes up as it rushes by. At night, there were fewer people watching the Qiantang bore and, because of the way sound refracts differently when the ground is colder, its roar could be heard even earlier. Several long walls jut out perpendicular to the river bank. Standing on one of them, we saw the wave approach head-on, crash into the wall and then reflect. This reflected wave was an awesome sight, hugely amplified as it receded and interfered coherently with the still-advancing tide. The Severn bore can be reflected too, after it hits the weir upstream from Maisemore, which is usually the limit of its P hy sic s Wor ld July 2015

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journey. Standing on Maisemore Bridge, I once saw a tiny reflection, a few centimetres high, several minutes after the bore had passed. The bore moves up the Qiantang river at speeds varying between 10 km/h and 20 km/h. On the last night, we chased it for tens of kilometres, following it by car until 3 a.m. The fixer chose a final viewing location where the bore crashed against another wall. As we parked, seconds before the bore arrived, police rushed alongside on motorcycles, screaming at us to shift our car, and ourselves, several tens of metres away. With my mistrust of authority, I thought they were being unnecessarily officious. But they were right, because the reflected wave smashed through the protective chain-link fence, and would have drenched us and the car, probably knocking us over. With the interval of 12 hours and 25 minutes between bores, and long drives between viewings in several different places, our sleep patterns were disrupted, leaving us permanently exhausted. Our discomfort was somewhat alleviated by the luxurious hotels chosen by the fixer. One deserves mention as an attraction in itself: the Ningbo Hiatian Yizhou Hotel, which is spectacularly located on the Qiantang river as it opens out into its estuary. The building lies in the middle of a bridge spanning the river, claimed to be the world’s longest over clear water – nearly 40 km.

Experiencing unification A primary aim of physics is to unify the different fundamental forces. A giant step in this direction was Maxwell’s unification of electricity, magnetism and light, in his electromagnetic theory that now underpins our communications technology. The effort continues, with attempts to unify gravity with the strong and electroweak interactions that act on microscopic scales. But we should not forget the first unification, which was Isaac Newton’s discovery that the force that holds us to the ground, the force that keeps the Moon in its orbit, and the force that drives the tides, is in fact one force: gravity. Witnessing a tidal bore, we experience this unification directly.  n 47

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Chapter 3

Quantum Chaology

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     B1988   International Economics Global Markets and Competition (4th Edition)

“7x10”

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Chapter 3: Quantum Chaology   273

The earliest phase of quantum asymptotics, described in the previous chapter, culminated in a wide-ranging review of semiclassical mechanics [B23], written with Kate Mount in 1972. I now regard this as ‘prehistoric semiclassical mechanics’, because it was written before two important developments. The first, already described in Chapter 2, was the catastrophe classification of stable caustics. The second, brought to my attention by Ian Percival, was the then new area of deterministic chaos in classical dynamics. Percival insisted that new insights, beyond our existing semiclassical formulations, were required to understand quantum phenomena where the corresponding classical motion is chaotic (i.e. irregular or non-integrable). Sidestepping the familiar WKB formalism, but using elementary semiclassical ideas, I conjectured [3.1] that quantum wavefunctions in classically chaotic systems can be modelled as Gaussian random functions. Boundary conditions can be incorporated ([B340], and [B344] with H. Ishio). The Gaussian random wave hypothesis has been supported and developed in many papers by others; these include the important observation that some chaotic states are decorated (‘scarred’) by classical periodic orbits. Understanding the quantum eigenvalues (energy levels) in classically chaotic systems took somewhat longer. In 1975, when my late colleague Balazs Gyorffy made me aware of random-matrix theory, it was immediately clear that this would be a good model for the statistics of the eigenvalues. A prediction, soon confirmed in numerical calculations, was that neigbouring levels would repel each other. The conjecture that quantum energy-level statistics in the classically chaotic case would display random-matrix universality was later formulated precisely, and more generally, by Oriol Bohigas, Marie-Joys Giannoni and Charles Schmit. In the contrary case of classically integrable (i.e. non-chaotic] systems, Michael Tabor and I argued [B61] that the statistics would be very different: Poisson, with no level repulsion. Understanding statistics in the chaotic case required two new ingredients. The first was the formulation of semiclassical mechanics, in terms of periodic classical orbits, by Martin Gutzwiller [7.11]. Our 1972 review [B23] concluded that this approach, then newly-published, was likely to be important, but at that time we could not understand that it would be central to quantum chaology. Once we did appreciate the importance of periodic orbits, an early application, with John Hannay [B95], was the analytic quantization of the classically chaotic ‘Arnold cat’ linear map on the torus. But this was not generic, because of arithmetic relations between the actions of the periodic orbits, leading to too much coherent interference for random-matrix statistics to apply. The second ingredient was the discovery by John Hannay and Alfredo Ozorio de Almeida that in generic cases (in particular when there are no arithmetic

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relations between actions) the contributions of the long periodic orbits obey a universal sum rule. Combining the two [3.2] explained why random-matrix universality applies in quantum chaology. It is always gratifying when a theory yields insights beyond those that inspired it. In this case, periodic-orbit theory delivered more than the reason for random-matrix universality. It showed that although the shortrange correlations between energy levels are described by random-matrix theory, this model must fail for the longer-range level correlations, because these are controlled by the short periodic orbits, which are not universal. Extensions soon followed: to systems without time-reversal symmetry (‘Aharonov-Bohm billiards’ [B145], [B148], with Marko Robnik), and to relativity (‘Neutrino billiards’ [B161], with Raul Mondragon). My 1987 Bakerian lecture [3.3] reviewed these and other developments (and also explained the term ‘chaology’ — see also [B191]). Since then, many other people have improved, generalised and applied the periodic-orbit theory of quantum chaology in many directions. In January 1985, on a journey from Bielefeld to Heidelberg in weather so cold that the windows of the normally well-heated German train froze on the inside, the clariton struck me that quantum chaology should also describe the heights of the zeros of the Riemann zeta function (if the Riemann hypothesis is true). A celebrated conjecture a decade earlier had proposed that some statistics of the zeros would be described by random-matrix theory, but the connection with quantum chaology predicted much more: the zeros are energy levels of a quantum system whose classical counterpart has well-defined properties, and the randommatrix distribution of the zeros must break down in a precisely specified way. I described the zeta/classical analogy in [3.2] and [3.3], and in more detail in [3.4]; the breakdown of random-matrix theory for distant Riemann zeros was confirmed in [3.5]. Jon Keating and I reviewed this subject [3.6], and he and others have independently extended and deepened the analogy in many directions. But it depends on the existence of a chaotic classical dynamical system underlying the zeros, and we do not know what this is. We know some of its properties ([3.6] and [B401]) — for example, that it has periodic orbits whose lengths are multiples of logarithms of primes — and a hint [B306] that the system might be related to an unstable oscillator. But the connection remains enigmatic and tantalising, exemplifying Piet Hein’s aphorism: “Problems worthy of attack prove their worth by hitting back”. It would be possible to see the Riemann zeros in an optical or microwave experiment, because these separate the side lobes of radiation patterns of suitablydesigned antennas [B451, B481]. Complementing this ‘eyemath’ is ‘earmath’: hearing ‘the music of the primes’ and the Riemann zeros [B454] and the different random-matrix ensembles ([B456], with Pragya Shukla).

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[3.1]  275 J. Phys. A: Math. Gen., Vol. 10, No. 12, 1977. Printed in Great Britain.© 1977

Regular and irregular semiclassical wavefunctions M V Berry H H Wills Physics Laboratory, Bristol University, Tyndall Avenue, Bristol BS8 lTL, UK Received 19 July 1977, in final form 11 August 1977 Abstract. The form of the wavefunction r/1 for a semiclassical regular quantum state

(associated with classical motion on anN -dimensional torus in the 2N -dimensional phase space) is very different from the form of r/1 for an irregular state (associated with stochastic classical motion on all or part of the (2N -I)-dimensional energy surface in phase space). For regular states the local average probability density n rises to large values on caustics at the boundaries of the classically allowed region in coordinate space, and r/1 exhibits strong anisotropic interference oscillations. For irregular states n falls to zero (or in two dimensions stays constant) on 'anticaustics' at the boundary of the classically allowed region, and 1/J appears to be a Gaussian random function exhibiting more moderate interference oscillations which for ergodic classical motion are statistically isotropic with the autocorrelation of r/1 given by a Bessel function.

1. Introduction In generic classical Hamiltonian bound systems with N(;;;.: 2) degrees of freedom some orbits wind smoothly round N -dimensional tori in the 2N -dimensional phase space, and some orbits explore (2N -1)-dimensional regions of the energy 'surface' in a stochastic manner (Arnol'd and Avez 1968, Ford 1975, Whiteman 1977, Berry 1978). Percival (1973) took up an old idea of Einstein (1917) and suggested that in the semiclassical limit (i.e. as 11.,.. 0) there would be 'regular' and 'irregular' quantum states corresponding to these two sorts of classical motion. In the limiting case of a completely integrable system the whole phase space is filled with tori and all states are regular, and in the opposite limit of a completely ergodic system almost all orbits wander stochastically over the whole energy surface and all states are irregular. According to Percival regular and irregular states could be distinguished by their behaviour under perturbation; this distinction obviously involves the matrix elements between different states. Here I make conjectures about individual energy eigenstates. It appears that the nature of the wavefunction !{!(q) is very different as 11 ~ 0 for regular and irregular states. The main differences are in the behaviour near boundaries of classically allowed regions (§ 2) and in the nature of the oscillations of ljJ(q) (§ 3). These differences suggest simple ways in which a quantum state numerically computed or graphically displayed can be shown to be regular or irregular. The quantities to be calculated are local averages over coordinates q ( q 1 ••• qN) of functions f(q) that depend on !{!(q ), denoted by f(q) and defined by

=

(1)

2083 ‘Regular and irregular semiclassical wavefunctions’ by Berry, M. V., 1977, Journal of Physics A 10, 2083-2091. © IOP Publishing. Reproduced with permission. All rights reserved.

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where

lim .1= 0

but

lim (h/ .1) = 0. ,. ... o

(2)

The conditions on A ensure that the average ! is taken over many oscillations of the wavefunction, since the scale of these oscillations is of order h. I shall study the local average probability density Il(q ), namely

Il(q)= ll/l(q)l

2



(3)

and the autocorrelation function C(X; q) of 1/!(q), namely C(X; q)= 1/!(q +tX)I/I*(q -!X)/Il(q).

(4)

The principal tool for this study is Wigner's function 'lt(q, p) corresponding to the state 1/!(q ). This is defined as

'lt(q,p)=h~

f dXe-ip.X/'*1/!(q-!X)I/I*(q+iX).

(5)

Detailed studies of the semiclassical behaviour of 'It have been made by Berry (1977a) and Voros (1976, 1977). In terms of '11, the local average probability density is

II(q) =

f dp 'lt(q, p)

(6)

and the autocorrelation function is C(X; q)=

Jdp e;,.x;" qr(q, p)/II(q).

(7)

For the present purposes it is sufficient to take for the averaged Wigner function q, the crudest classical approximation, namely the density in the classical phase space q, p over the manifold explored by the classical orbit corresponding to the quantum state 1/1 being considered. For an integrable system this is a torus, specified by the actions 1., = (!1 ... IN) round the N irreducible cycles. Quantum conditions (reviewed by Percival 1977) select the I., that can correspond to quantum states. Any point (q, p) in phase space can be specified by the actions I (q, p) of the torus through (q, p) and the conjugate angle variables 8(q, p) locating the position of (q, p) on this torus. Then the averaged Wigner function is (Berry 1977a):

q,( q, p

)

8(l(q,p)-I.,) (27T)N •

(8)

(Note that this involves anN -dimensional delta function.) For an ergodic system I assume that the relevant classical orbits are the typical ones, that pass close to all points on the energy surface corresponding to the energy E of the state 1/1. Then if H (q, p) denotes the classical Hamiltonian it is shown under reasonable assumptions by Voros (1976, 1977) that the averaged Wigner function is 8(E-H(q,p)) 'lt(q,p)= dq dp8(E-H(q,p))'

J J

(9)

(Note that this involves only a one-dimensional delta function.) The 'microcanonical' assumption (9) differs radically from that made by Gutzwiller (1971), who considers

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that the relevant orbits in this case are the individual unstable periodic trajectories. Although dense, these are of total measure zero and this makes it unlikely that they

could support quantum states (any attempt to use orbits in the neighbourhood of the periodic trajectories will be frustrated by their instability). For a quasi-integrable system the existence of some tori is guaranteed by the 'KAM' theorem of Kolmogoroff (1954), Arnol'd (1963) and Moser (1962). Although these tori are distributed pathologically in phase space there are infinitely many of them near one with actions I"' and this, taken together with a smoothing on scales small in comparison with h, is probably sufficient to give meaning to the function I (q, p) and hence to (8). There will be gaps in the system of tori; in these gaps motion is stochastic and fills a (2N -I)-dimensional region smaller than the whole energy surface. Usually the orbits do not fill such stochastic regions uniformly but for simplicity I shall assume that they do. Then the averaged Wigner function will be given by (9) restricted to the region explored by the motion. The Hamiltonian will be taken as

H(q,p)=J~ + V(q)

(10)

where m is the mass of the system and V(q) the potential in which it moves. This ensures that rjJ(q) can be considered real. The presence of a magnetic field or of anisotropy in the momentum terms introduces complications but no essential differences in the results.

2. Caustics and anticaustics According to (6) the averaged probability density is the projection of the averaged Wigner function 'down' the p directions. The singularities of this projection are interesting because they show how ll(q) behaves near the boundary of the classically allowed region in q space. For integrable systems the projections of tori are singular on the well known caustics where ll(q) becomes infinite. Explicitly, (6) and (8) give ll(q) =

(2~t ~ldl(q, p;(q))/d PI-I= (2~)N ~ld O(q, p,(q))/d ql,

(11)

where the derivatives denote Jacobian determinants and p; (q) is the ith intersection of a fibre through q with the torus I"' (there is always a finite number of these intersections). As q moves onto a caustic ld8/dql diverges as two or more intersections i coincide (figure 1). It is the presence of caustics that gives regular wavefunctions their striking and distinctive properties. The forms of the caustics in generic cases are governed by the catastrophe theory of Thorn (1972) and Arnol'd (1975). This is because for the part of the torus for which q lies near the caustic it is possible to define a local generating function G(p; q) by G(p;q)=

r

q(p').dp'-p.q.

(12)

Po

where q = q(p) is the equation of the torus near its 'edge' (figure 1). In terms of G the

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M V Berry p

caustic po1nt onq

q

1

Figure 1. Coordinates and momenta near 'edge' of a torus in phase space.

gradient map

'V ,G = q(p)-q = 0

(13)

defines the torus locally and the singularities of the map, where (14)

define the caustics in q space. This follows from the second term of (11) on realising that p varies smoothly with (J when q is near a caustic (figure 1). (It is not possible to define a global generating function of the form (12), because (12) fails near caustics in momentum space where q(p) is not defined.) When N = 2 the possible catastrophes are fold lines and cusp points. If V(q) is a simple potential well with circular symmetry, for example, there are no cusps and the caustic is two circular fold lines with radii determined by the libration points of the orbit. To see how such caustics are produced by projection it is simplest to visualise the tori in the three-dimensional energy surface ~ with coordinates q1. q2 and the angle¢ made by p with the p 1 axis; because of the periodicity in¢ the energy surface has the topology of a solid torus. Figure 2 shows ~ and also a two-dimensional torus corresponding to motion with constant angular momentum. Other forms of potential well can give rise to caustics with cusps, as illustrated by figure 3(e) which shows the caustic of an orbit computed by Marcus (private communication). One way this might arise can be introduced by 'first considering an isolated stable triangle orbit (figure 3(a )) on a non-circular billiard table (i.e. a potential zero for q1. q 2 inside a boundary and infinite outside). This will be surrounded by tori in qt, q 2 , ¢ (Lazutkin 1973, Dvorin and Lazutkin 1973), one of which is shown in figure 3(b). The projection (caustic) is shown in figure 3(c); there are no cusps, and the non-generic triple junctions result from the discontinuity in V(q) at the boundary. The 'generification' of the torus (figure 3(d)) that results from softening V(q) at the boundary corresponds to pumping air into a flat tyre and on projection gives the cusped caustic of figure 3(e ). For N > 2 the caustics can typically form higher catastrophes. In each case ll(q) rises to infinity at the caustic. For the fold, if x is normal distance from the caustic into

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Regular and i"egular semiclassical wavefunctions

Figure 2. Energy 'surface' 'l: with coordinates (qh q2, )(4> = 0 and 4> = 27T are identified). The torus corresponding to an orbit with constant angular momentum is shown, and the caustics which envelop its projection along ¢.

(c)

Fi111re 3. (a) Stable isolated closed orbit on billiard table; (b) torus in q" q 2 , space( perpendicular to paper) inhabited by nearby quasi-periodic orbit; (c) caustic resulting from projection of (b); (d) generification of torus in (b) resulting from softening potential at the boundary; (e) caustic resulting from projection of (d).

the classically allowed region, the divergence has the form

Tia:::Re x- 112 •

(15)

At higher catastrophes the divergence is stronger. For non-zero li the divergences are softened by quantum effects and rjJ rises to a value of order li- 13 where {3 is the 'singularity index' defined by Arnol'd (1975). The

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M V Berry

caustics are clothed by striking diffraction patterns (Berry 1976) characteristic of the particular catastrophe involved. This behaviour is very different from what happens in an ergodic system. There, equations (8), (9) and (10) give Jdp 8(E -H(q, p)) (E- V(q))!N- 10(£- V(q)) 16 TI(q)= Jdp Jdq8(E-H(q,p)) Jdq(E- V(q))!N 10(£- V(q))' ( ) where 0 denotes the unit step function. When N > 2, TI(q) vanishes at the boundary E = V(q) of the classically allowed region. For N = 2, ll(q) is constant over the allowed region. In no case does TI diverge on the boundary (except in the trivial situation N = 1 when the system is integrable and ergodic and the boundary points are caustics of fold type). Therefore I shall call the boundaries of these irregular wavefunctions anticaustics. In a quasi-integrable system the boundaries of the projections of stochastic regions corresponding to irregular states will also have anticaustics. As an example of this let N = 2 and consider a potential well perturbed from circularity. Surrounding each 'unperturbed' torus that supported closed orbits there will be a gap between the tori of the perturbed system. Let one such gap span the angular momenta L1 to L2(> Lr) and assume that the stochastic trajectories fill this gap uniformly. Then TI(q) for a corresponding irregular quantum state will vary with radial coordinate q as TI(q)oc

r.,.

d

L"' dpp8(E- V(q)- ;~)0(L2-pq sin )0(pq sin -L1)

ocr.,. d 0(L2 -q[2m(E- V(q ))] 112 sin )0(q[2m(E- V(q))] 112 sin- L 1). (17) If q}, qi are the inner libration radii for orbits with Lr and L 2, and qt, q; are the

corresponding outer libration radii, then 0

cos-IC[2m(E

~~V(q))]1/2)

(q1 oo, the density of periodic orbits increases and the intensities decrease: as a power-law for integrable systems and exponentially for chaotic ones. The results of the competition between these two tendencies was calculated by Hannay & Ozorio de Almeida ( 1984) as a consequence of their extension of the important idea that very long periodic orbits are uniformly distributed in phase space (see, for example, Parry and Pollicot 1983; Parry 1984). They found that ¢u(T)--'-> (d.QjdE)/(2n)N+l and

¢u(T)--'-> T / 47t 2

(integrable)

(chaotic).

(24)

(25)

(The integrable result (24) had previously been found by Berry & Tabor (1977a), in a different way.) These formulae correspond to the amplitudes Aj combining incoherently as in (23), which is the correct procedure if no symmetry enforces strict degeneracy among the orbit actions Sj. When such degeneracy does exist, the appropriate amplitudes must be combined coherently, and we shall see in §8 that this has important repercussions for time-reversal symmetry. In writing (25) we have, for simplicity, ignored multiple traversals (M > 1 in 10), because these give contributions to ¢u that vanish as T--'-> oo (this will be illustrated in §7).

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3. INTEGRABLE SYSTEMS For integrable systems, global action-angle variables exist, with each set of actions I= {/1.. .IN} denoting a phase-space torus. The Hamiltonian can be written H(I) and the frequencies w = {w 1... wN} on the torus I are given by w = V 1 H(I). The periodic orbits at energy E are knots on the torus, with winding numbers M = {M1 ... MN} for theN irreducible cycles. These winding numbers constitute the labelj in the periodic-orbit sums of the previous section. Each M defines a resonant torus IM, which is one whose frequencies are commensurable, and hence a period TM, by (26) A convenient form for the orbit amplitudes AM is that given by Berry & Tabor ( 1977b):

(21t)N-1

AX, = Tft 1w · oiMfoTM det {owJci1}M I ·

(27)

For the rigidity, (20)-(22), together with the diagonal average to be justified later, give the topological sum

A(L) = 1)_ 1 1:+ ~~ G(LTM/2(d) n). M

(28)

M

Thus A(L) is a sum of weighted scaled orbit selection functions (figure 1), one for each resonant torus. When L ~ Lmax• G selects only long orbits and the topological sum can be evaluated by using the continuum limit (24). This gives

n A(L)

= (27tn)N 1t

L

=-2 1t

d.Q ( 00 dT dE T2 G(LTj2(d) n)

Jo

foo 2G(y). dy 0

(29)

y

The integral, from (21) and (16), equals fs7t, so that

A(L)

-f5L

=

(L

~ Lmax)·

(30)

This supports the claim that the local spectra of classically integrable systems belong to the universality class of uncorrelated level sequences; of course 'local' means L ~ Lmax· When L ~ Lmax• the orbit selection function in (28) is unity for all orbits M, and A attains a saturation value given by the convergent sum .4

_

LJOO -

2

li,N-1

~+AX, £..J M

T2 .

(31)

M

Although this is semiclassically large, the r.m.s. fluctuations dt, in the staircase are still much smaller than the mean height (.;V) of the staircase itself (equation (3)), by a factor n!. Saturation of the rigidity has been observed in numerical calculations by Seligman et al. (1985) (for an integrable polynomial Hamiltonian) and Casati et al. (1985) (for an integrable billiard (see the next section)).

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M. V. Berry

In the crossover region L "" Lmax' (28) predicts a few weak oscillations as L increases to reveal the contribution of the shortest orbit with period Tmin- The slowest oscillations in A(L) have an L-wavelength of Lmax·

4.

AN EXAMPLE: BILLARDS IN A RECTANGLE

For a particle of mass m moving freely within a rectangle with sides a, b and impenetrable walls, the quanta! energy levels are (32)

where

(33)

We assume without loss of generality that a~ b, i.e. a~ 1. Classically, the action Hamiltonian for this two-dimensional integrable system is (34)

with frequencies (35)

It follows from (26) that the period of the closed orbit with topology M is

=

(M1 , M 2 ) (36)

Three of these orbits are illustrated in figure 2. The resonant tori whose orbits have these periods have actions

IM =2m (M1 a 2 , M 2 b2 )jnTM.

(37)

In terms of these quantities it is easy to calculate the torus amplitudes (27)

AL- = m 2 a2 b2 jn 3 ETM.

(38)

It might be thought that time-reversal symmetry of the periodic orbits might cause them to contribute twice to the sum (28) for the rigidity. But this is not the case, because although each orbit on the torus IM is distinct from its time-reverse if neither M 1 nor M 2 is zero, both these orbits are included on the same torus, which is a four-sheeted geometric object with inversion symmetry about p = 0 in momentum space, and hence time-reversal symmetry. If either M 1 or M 2 is zero (for example the orbit (0, 1) in figure 2) the orbit is self-retracing and hence is its own time-reverse. The corresponding torus has only two sheets rather than four and so counts l in amplitude and ! in intensity (for a detailed discussion of this phenomenon see Appendix C ofRichens & Berry (1981)). It is natural to express A(L) in terms of the scaled energy rff

= E(d)

(=(%(E))),

(39)

corresponding to a mean level spacing of unity, which by (28) gives

st

A(L)

10480-03-02.indd 291

00

= ~2 ~

00

aM G(yM) M2 1 2

~ (M2

1t M,-o M 2-o

la

+

-1)"' 2a 2 2

(40)

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a

FIGURE

2. Rectangular billiard showing closed orbits with three different pairs of winding numbers (Mv M 2 ). The orbit (0, 1) is self-retracing; the other two are not.

if M 1 = M 2 = 0, } if one of M 1 and M 2 is zero, 1 otherwise

0

where

8M

= {i

and

YM

= L{7t(~a!+~c:c!)jtf}i.

(41)

(42)

The shortest periodic orbit has winding numbers (0, 1) and (7) leads to Lmax = (7ttf)! at. When L

~

(43)

Lmax' G ~ 1 for all M and so the saturation rigidity is @"!

Aoo

00

8

00

=~ I; I; 1t• M1=0 M,=O

(M2 1 1

~22 a -l)a · 2 2

a• +

(44)

This convergent series is easy to sum numerically. For a close to unity it varies slowly with a and so can be approximated by its value when a = 1, which is (Zucker 1974) (a=l)

L1 00 = tf!7t-~[{;'{!)jl{!)-!{;'(3)] = 0.0947 tf!, where{;' and

(45)

p denote the number-theoretic series oo

{;'(s)

1

= n=l 2: 8; n

oo ( -1)n+l

fl(s)

= n=l 2: (2 -1)s n

(46)

These results will now be compared with quanta! calculations of A(L) by Casati et al. (1985). They used the levels al 2 +n 2 and so our@" is their energy multiplied by 7t/4a2 • Figure 3 shows the comparison for two energies, between A(L) computed from (40) for a= 1 and their quanta! calculations for an ensemble of a-values between 0.9 and 1.2 (a range in which the different theoretical A-curves are almost indistinguishable). The agreement is good in the universal crossover and saturation ranges of L, although their oscillations are slightly stronger (this might be the result of their different averaging procedure).

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M. V. Berry

Casati et al. also show (non-local) averages of A(L) over the whole energy range from zero to rff, for a= i1t. From (45), their curves ought to saturate atf x 0.0947 rffl, and comparison shows that they do. Finally, Casati et al. show a graph of A(L) in which L consists of the range from the ground state to the Lth level. In our notation this corresponds to choosing rff = iL so that Lis always in the saturation range and (45) predicts

L1 = 0.0947 Llfv2 = 0.067Ll.

••••• ••••••••••••

(47)

•••••••••

10

••••••••••••• 5

0

300

600

900

L

3. The full curves show /1(L) computed from (40) for a= 1 and tff = 10500 x in (lower curve) and tff = 20500 x !n (upper curve) by using 1250 closed orbits. The circular points show data from Casati et al. (1985). The theoretical crossover values Lmax are 161 and 225 and are indicated by crosses. The straight line shows the local universal Poisson rigidity fr,L.

FIGURE

Their curve is fitted by 0.063£!, which is a close agreement when one considers that the theoretical formulae have here been applied to values of L that are certainly not classically small.

5. A

SEMICLASSICAL SUM RULE

The periodic-orbit sum (9) can be at best conditionally convergent because it represents the spectral density, with 8 singularities at the energy levels. The delicate conspiracy of amplitudes Ai and phases S/li by which this is achieved is not fully understood, but there is some theoretical evidence that the semiclassical approximation (9) is in fact capable of reproducing singularities when infinitely long orbits are included. For integrable systems, we refer to Norcliffe & Percival (1968), Balian & Bloch (1972), and Berry & Tabor (1976). For chaotic systems, we refer to the Selberg identity (reviewed by Hejhal (1976) and McKean (1972)), which shows that for manifolds of constant negative curvature (9) is exact, and also to a study by Gutzwiller (1980) and an example to be given in §7 here. The purpose of the present section is to derive an identity that must be satisfied by

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the function ¢(T) (equation (22)) that appears in the rigidity formula (20), to ensure that the periodic-orbit sum (9) has the correct density of singularities. By analytically continuing the energy toE-+ E + irt and using the representation of the spectral density (2) as the imaginary part of the causal Green function, d(E) can be expressed as the limit 71-+ 0 of the Lorentzians

1

d~(E) = - - Im ~ E

n

n

1

-

E

.

n +~n

n 2nexp(4n) ~ 2 x 106 .

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Mehta, M. L. 1967 Random matrices and the statistical theory of enPr(JY levels. Xew York and London: Academic Press. Meyer, H.-D., Haller, E., Koppel, H. & Cederbaum, L. ~. J. Phys. A 17. L8:31-836. Montgomery, H. L. 1973 Proc. Symp. pure Math. 24, 181-193. Montgomery, H. L. 1976 Proc. Symp. pure Math. 38, :~07-310. Montgomery. H. L. 1977 Communs Math. Helv. 52. 511-523. Norcliffe, A. & Percival, I. C. 1968 J. Phy8. B L 774-8:3. Parry, W. 1984 Ergod. Th. Dynam. Sy8t. 4, 117-1:K Parry, W. & Pollicott, M. 1983 Ann. of 11-fath 118. ,')7:{-:)91. Pavlov, B.S. & Fadeev, L. D. 1975 Soviet Math. 3, 522-548. Pechukas. P. 1983 Phys. Rev. Lett. 51, 94:~-946. Porter, C. E. 1965 Statistical theories of spectra: fiurtuations. Xew York: Academic Press. Richens, P. J. & Berry, M. V. 1981 l'hysica 1D. 49.')-1}12. Robnik, M. 1984 J. l'hys. A 17, 1049-1074. Seligman, T. H. & Verbaarschot, J. J. :\1. 1985 Phys. Lett. A 108. 18:l-187. Seligman, T. H., Verbaarschot, ,J. ,J. M. & Zirnbauer, M. R. 1985 .!. f'hy.s. A (In the press.) Sinai, Ya. G. 1976 Introduction to ergodic theory. Princeton University Press. Voros, A. 1983 Ann. ln8t. H. Poincare 39, 21 1-BB8. Zucker, T. J. 1974 .!. Phys. A 7, 1568-1575.

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[3.3]  307 Proc. R. Soc. Lond. A 413, 183-198 (1987) Printed in Great Britain

THE BAKERIAN LECTURE,

1987

Quantum chaology BY

M.

v. BERRY,

F.R.S.

H. H. WillB PhyBic8 Laboratory, Tyndall Avenue, BriBtol BS8 1TL, U.K. (Lecture delivered 5 February 1987- TypeBcript received 2 March 1987) Bounded or driven classical systems often exhibit chaos (exponential instability that persists), but their quantum counterparts do not. Nevertheless, there are new regimes of quantum behaviour that emerge in the semiclassical limit and depend on whether the classical orbits are regular or chaotic, and this motivates the following definition. Definition. Quantum chaology is the study of semiclassical, but nonclassical, behaviour characteristic of systems whose classical motion exhibits chaos. This is illustrated by the statistics of energy levels. On scales comparable with the mean level spacing (of order hN for N freedoms), these fall into universality classes: for classically chaotic systems, the statistics are those of random matrices (real symmetric or complex hermitian, depending on the presence or absence of time-reversal symmetry); for classically regular ones, the statistics are Poisson. On larger scales (of order h, i.e. classically small but semiclassically large), universality breaks down. These phenomena are being explained by representing spectra in terms of classical closed orbits: universal spectral behaviour has its origin in very long orbits; non-universal behaviour depends only on short ones.

In Henry Baker's day, 'chaology' meant 'The history or description of the chaos' (O.E.D. 1893). The chaos was the state of the world before creation ('without form, and void') so that chaology was a theological term. That area of theology has not been very active for the past two centuries (unless we extend its scope to include some recent speculations in cosmology) and so we are justified in reviving the term chaology, which will now refer to the study of unpredictable motion in systems with causal dynamics, as exemplified by the contributions at the meeting on 'dynamical chaos' of which this lecture is a part. But what is 'quantum chaology' ? One obstacle to a definition is the growing understanding that quantum systems are not chaotic in the way that classical systems are. (I am speaking of unpredictability in the evolution of the expectation values of observable quantities, and not of the quite different randomness unavoidably encoded in the wavefunction.) As an example, consider ionizing a hydrogen atom by shining microwaves on it. This is well modelled by the quantum mechanics of an electron in two electric fields: Coulomb, from the nucleus, and oscillatory, from the radiation. If the atom [ 183 ]

Reprinted from Proceedings of the Royal Society A, Volume 413, (1987).

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is highly excited to begin with, we might be justified, on the basis of the correspondence principle, in thinking of the electron as moving classically. If in addition the illuminating microwaves are intense, the classical progress towards ionization is not a smooth outward spiralling but an erratic diffusion: the fields make the electron orbits chaotic (Leopold & Percival I979; Jensen I985). Exactly this behaviour (or rather the ionization probabilities that follow from it) has been observed in experiments (Bayfield et al. I977). (We are here very far from the perturbation regime of one-photon ionization, the photoelectric effect, that was so important at the birth of quantum mechanics.) Surely these experiments illustrate 'quantum chaos' ? They do not, because chaos is unpredictability that persists (strictly for infinite times) and in these experiments the atoms traverse only a short stretch of microwave field and so diffuse for only a short time. The surprise comes in quantum calculations for longer times. These show that although initially the highly excited quantum electron absorbs energy in the classical way (that is, -diffusively), after a long time there is a transition to a new regime in which the quantum electron absorbs energy more slowly. The first calculations (Casati et al. I 979) were for a model system, in which a particle on a ring (a rotator) is kicked periodically with an impulse that depends on where it is. For strong kicks the classical rotator momentum diffuses (energy grows linearly). But the quantum energy almost always eventually stops growing (usually it oscillates quasiperiodically). The analogous regime for the ionization problem (Casati et al. I984; Casati et al. I986; Bliimel & Smilansky I987) has not yet been probed experimentally, although I understand that it soon will be. These calculations are important because they illustrate a general phenomenon: the quantum suppression of classical chaos (Chirikov et al. I 98 I ; Fishman et al. I982; Grempel et al. I984). To see easily that this suppression must occur, observe first that classical chaos can be regarded as the emergence of complexity on infinitely fine scales in classical phase space : smooth curves representing families of orbits develop _elaborate convolutions, like cream spreading on coffee. But quantum mechanics involves Planck's constant h, which is an area in phase space (momentum times distance) below which structure is smoothed away (for an illustration see Korsch & Berry I 98 I). Although we do not have chaotic quantum evolution, we do have here a new quantum phenomenon that emerges in the semiclassical limit in systems that classically are chaotic, and this motivates the following definition.

Definition. Quantum chaology is the study of semiclassical, but non-classical, behaviour characteristic of systems whose classical motion exhibits chaos. 'Semiclassical' here means 'as h ~ 0 '. (Of course Planck's constant is not dimensionless and so can take any value, depending on the choice of units; what is meant is that the ratio of h to some classical quantity with the same dimensions - action - tends to zero.) Here I will concentrate not on time evolution but on the quantum chaology of spectra, that is eigenvalues of the energy operator for systems whose classical counterparts are chaotic. This is important because these eigenvalues are the energies of stationary states, which are the quantum mechanical way of describing

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185

things, that is persisting objects like atoms and molecules, whose properties do not depend on when we measure them. We will be concerned not with the ground state but with the description of many highly excited states; this is the semiclassical limit. My main aim is to bring to your attention a remarkable quantum chaotic property of spectra, and describe the first step towards explaining it. Before doing so, I must point out that these semiclassical quantum problems are but one example of the asymptotics of eigenvalues. Essentially the same mathematics describes the modes of vibration of elastic membranes, or sound waves (in a lecture hall my voice excites modes near the 20000th, which is surely 'asymptotic'), and much else. The 'classical limits' of these non-quantum problems involve the 'rays' of elasticity or sound; geometrically the rays are geodesics: straight line trajectories reflected specularly, like billiard balls, at the boundaries of the domain. The two-dimensional billiard domain of figure 1 a has chaotic geodesics: it is the stadium of Bunimovich. The domain of figure 1 b, the circle, does not. In mechanical terminology, the stadium orbits are ergodic (they possess no constants of motion other than the energy) while the circle orbits are integrable (because of symmetry, their angular momentum is conserved as well). For a quantum particle of mass min a billiard domain D, eigenvalues E are determined by V 21jr+(2mEjn2 )1jr = 0 in D, } (1) ifr = 0 on the boundary of D. The remarkable quantum chaotic property is that the distribution of the eigenvalues displays universality. This is the slightly pretentious way in which physicists denote identical behaviour in different systems. The most familiar example is thermodynamics near critical points (of, say, fluids and magnets). To see the universality we need to magnify the spectrum so that the mean spacing of the levelsis unity. The required magnification is the mean level density (d). What is (d)? The answer comes from the roughest eigenvalue asymptotics, initiated by Pockels in 1891, developed by Rayleigh and Jeans who needed to count cavity modes for the theory of black-body radiation, and given a firm mathematical foundation by Herman Weylin 1913 (for a review see Baltes & Hilf 1976). Their result was that if the classical system has N freedoms (e.g. N = 2 for billiards) then (2)

where Q(E) is the volume of that part of classical phase space whose points have energies less than E. (These ideas have been refined and extended in several directions: see for example Kac 1966; Simon 1983a,b; Berry 1987.) The level spacing is thus of order hN, so that we need a microscope with power h-N. What do we see with it? Of course we see the individual scaled levels, call them x1, instead of the original levels E 1. Ideally we would have an asymptotic theory to predict these levels with an error that gets semiclassically small in comparison with the mean spacing hN. For integrable (non-chaotic) classical motion we do have such a theory, in the form of the W.K.B. method and its

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M. V. Berry

FIGURE 1. Classical orbits (bouncing geodesics) in billiards: (a) stadium ofBunimovich (chaotic), (b) circle (regular). For more details see, for example, Berry 1981 a.

refinements and descendants (see, for example, Berry & Mount 1972; Percival 1977; Berry 1983). And these methods can be extended far into the chaotic regime if there is some residual order in phase space ('vague tori ') and under not too semiclassl.cal conditions (Reinhardt & Dana, this symposium). But for fully chaotic systems no fully asymptotic eigenvalue theory exists : we must make do with statistics of levels, and it is these that exhibit universality. One such statistic, a short-range one, is the level spacings probability distribution P(S), that is, the distribution of Si = xi+l-xi. Figure 2 shows P(S) computed from several hundred levels of the stadium, superimposed on P(S) for another

LOr----------------------,

0

2

3

s FIGURE 2. Level spacing histograms P(S) for eigenvalues of the stadium billiard (full lines, after Bohigas 1984a) and the Sinai billiard (dashed lines, after Bohigas et al. 1984b), and the level spacings distribution for random real symmetric matrices (smooth curve), closely approximated by P(S) =(in exp{ -~7t8 2 }.

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187

P.he Bakerian Lecture, 1987

classically chaotic billiard system: the billiard of Sinai, which is a square with a circular obstacle at its centre. These are two different systems, but the distributions are evidently the same; this is universality. Another statistic- a long-range one- is the spectral rigidity L1(L). This measures the fluctuations ofthespectralstairc ase .K(x), whose treads are at the eigenvalues x1 and whose risers have unit height (.K(x) counts the number of levels below x). The rigidity (Dyson & Mehta 1963) is the mean-square deviation of the staircase from the straight line that best fits it over a range L, that is A(L) =

(min"£1JiL, A,B

Ldx[.K(x)-Ax-B ] 2

)



(3)

--.L

Figure 3 shows the rigidities for the same two chaotic billiards; again they are the same, illustrating universality. 0.4r----------------,

0

20

10.

30

L 3. Spectral rigidity LI(L) for eigenvalues of the stadium billiard (filled circles, after Bohigas et al. 1984a) and the Sinai billiard (open circles, after Bohigas et al. 1984b), and the rigidity for random real symmetric matrices (smooth curve), whose asymptote is LI(L)--.>-(1/7t 2 ) lnL+const. as L--.>-oo.

FIGUltE

Now, it is clear from figures 2. and 3 that these data are accurately fitted by smooth curves representing the eigenvalue statistics of infinite real symmetric matrices wlwse elements are random numbers. Random-matrix theory (Porter 1965) was developed in·the 1960s to model the complicated many-body energy operators for atomic nuclei (whose observed spectra they describe very well (Haq et al. 1982) ). Ten years ago we (Berry & Tabor 1977) began to suspect it might also describe systems which although simple (like billiards) have chaotic classical orbits, and this has turned out to be so (Bohigas & Giannoni 1984). Contrast this universality class with the spectral statistics of systems whose classical motion is not chaotic. Figure 4a sbows. the spacings distribution, and figure 4·b the rigidity, for that most humble of regular systems, the particle in a two-dimensional rectangular box. It was surprising (ten years ago) to predict (Berry & Tabor 1977) and then find the statistics to be those of a set of random

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M. V. Berry

(a)

1.0

p

0

4

2

s

0

100

200

L

4. Level spacings distribution P(S) (histogram in (a) and spectral rigidity !J.(L) (circles in (b)) for eigenvalues of the rectangular billiard. The full curves are the statistics for Poisson-distributed eigenvalues (P(S) = exp ( -S) and !J.(L) = -/sL) and the dashed curves are the statistics for random real symmetric matrices.

FIGURE

numbers (that is, poissonian). These behave very differently from the eigenvalues of random matrices, which are more well ordered in that they repel each other: for example, P(S) vanishes linearly as S--+ 0 instead of tending to a constant, and the asymptote of A(L) rise only logarithmically rather than linearly. So far we have two universality classes, one for classically chaotic systems and one for classically regular systems, with spectra generated by random real symmetric matrices and Poisson processes respectively. Now, the matrices of quantum mechanics need not be real symmetric. The most general case is achieved for systems which, unlike billiards (or, more generally, particles in scalar potentials), do not possess time-reversal symmetry (T). For these, the energy operators are represented by complex hermitian, rather than real symmetric, matrices. The spectra of such random matrices, and also of the corresponding quantized chaotic systems, fall into a third universality class. To illustrate it we break T by applying an external magnetic field to a charged particle moving chaotically. It is very instructive to concentrate the field into a single line of magnetic flux tP. This is the chaotic equivalent of the effect discovered nearly thirty years ago in Bristol by Aharonov & Bohm (1959): the flux line does not alterthe classical trajectories but does affect the quantum mechanics, in this case by changing the eigenvalues (Berry & Robnik 1986a). These are determined not by (1) but by (V -iqA(r)/n) 21/F+ (2mE/Ii,2)1fr = 0 in D,} 1/f = 0 on the boundary of D,

(4)

where A(r) is any vector potential satisfying V x A= tP5(r).

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Figure 5 shows the spectral statistics of an Aharonov-Bohm billiard ('Africa') with chaotic trajectories (Africa is a cubic conformal image of the unit disc, illustrated in figure 6). Evidently P(S) now vanishes quadratically asS--+ 0, rather than linearly. The rigidity is different too: its logarithmic asymptote is only half that for chaotic systems with T. Thus T-breaking induces a spectral phase transition, to the third universality class. (Additional symmetries can mimic the effect ofT, as explained by Robnik & Berry 1986). The Aharonov-Bohm chaotic billiard might appear contrived, but might be capable of realization with a tiny solenoid and the essentially two-dimensional electrons in certain semiconductor interfaces (M. Pepper, personal communication). Exact sum rules for Aharonov-Bohm eigenvalues are giverr by Berry ( 1986 a). It is instructive to digress and look at the wavefunctions of these systems without T, and particularly at their zeros (Berry & Robnik 1986b). With T, wavefunctions

!:;-

ii; !i "C

0.5 I I

0

s

2

I

3

I I I I I I

/ /

/

2

0

3

s Ll

20

0

40

L 5. Level spacings distribution P(S) (histogram in (a)), cumulative level spacings distribution JgdxP(x) (histogram in (b)), and spectral rigiditx LI(L) (circles in (c)) for eigenvalues of the Aharonov-Bohm 'Africa' billiard with flux qtP/h=!h/5-1). The full curves are the statistics for random complex hermitian matrices, for which P(S) ~ (32/1t 2 ) exp ( -48 2 /1t) and LI(L)-+ (1/21t 2 ) lnL+ canst. as L-+ oo. The dashed curves are the statistics for random real symmetric matrices and the dotted curves are Poisson statistics.

FIGURE

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190

6. 50th eigenstate ljF of' Mrica' Aharonov-Bohm billiard with flux qtPjh = lh/5-1). (a) Nodal lines of Re ljl', which are very similar to the nodal lines of ljF with zero flux; (b) wavefronts (contours of phase of 1/F) at intervals of ln.

FIGURE

are real and so in two dimensions their zeros are the familiar nodal lines (JjF(x,y) = 0}, which in quantum chaotic systems wander irregularly (figure 6a) with average spacing equal to the de Broglie wavelength ,\ = fi/ ...j2mE (McDonald & Kaufman I 979; Berry I 983 ; see also Heller I 984, I 986 ). Without T, wavefunctions are inescapably complex and so their zeros are points (Re !fr(x, y) = 0, Im JjF(x, y) = 0). Each of these points is a singularity ofthe wavefronts (contours ofthe phase of!fr) (figure 6b}, which radiate from it like spokes from an axle (Nye & Berry I974; Berry I98I b). Classical waves, like those on the surface of the sea, are of course real, but share the properties of 'inescapably complex' ones if their patterns are stationary but not standing, that is Re !fr, where

JjF(r, t) = F(r)

e-iwt

(5)

with F(r) complex; thus the nodal lines of Re JjF move. The tide waves are like this, because of the symmetry-breaking caused by the Earth's rotation (relative to the Moon}, and the phase singularities are the amphidromic points where the cotidal lines (wavefronts) meet (figure 7}, as described by Whewell (I833, I836) (see also Defant I96I}. Back now to eigenvalues. There is a set of numbers of great mathematical importance whose statistics precisely mimic the energy levels of a quantum chaotic system without T, namely the imaginary parts of the zeros of Riemann's zeta function. This function is defined (Edwards I974) by analytically continuing to the whole complex z-plane Euler's product over primes p: ~(z)

1

-z· = n-1 -p p

(6)

Riemann showed that the zeros of ~(z) determine the fluctuations in the density of primes (that is their importance) and conjectured that they all have real part l; thus

(7)

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FIGURE 7. Cotidal lines in the oceans. These are wavefronts of the 12h tide wave, a forced vibration of the water of the whole earth; each line connects points where the tide is high at a given time. The singularities are amphidromic points, where there is no tide. (From Defant 1961 .)

where {E1} are real. This conjecture has been verified by computation for the first 1.5 x 109 reros (Van de Lune et al. 1986 ). It is an old idea (going back at least to Hilbert & Polya) that the Riemann conjecture would be confirmed if it could be shown that {E1} are the eigenvalues of some hermitian operator, but this has not been found. Recently Odlyzko (1987) has computed some statistics for spectacularly high E 1. Figure Sa shows the spacings distribution for 105 zeros near the 1012 th; agreeing very closely with P(S) for random complex hermitian matrices and so with that of some unknown quantum system without T whose unknown classical limit is chaotic. He also computed the number variance (figure 8b), a quantity closely related to the rigidity, and discovered that the three- and four-zero correlations (figure 8c, d) agrees perf'3ctly with the corresponding complex random-matrix statistics. Riemann's conjecture thus acquires, in addition to its number-the9retic importance, a further significance (Berry 1986b): when (if) the operator with eigenvalues E1 is found, it will surely be simple, and will provide a paradigm for quantum chaology comparable with the harmonic oscillator for quantum nonchaology. Here is a way of breaking T without magnetic fields, in relativistic quantum chaology. Take a massless particle ('neutrino') moving in the plane and described by the equation of Dirac (who gave this lecture in the year of my birth), but with a four-scalar potential V(x,y) rather than the usual electric potential. For such a particle, the wave is a two-component spinor satisfying (Berry & Mondragon 1987) (

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V(x,y)

- ihc(ax + ioy)

(8)

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192

M.V.Berry (a)

---

(b)

0.5 0.4 0.3

p

0.2

s

3

0 2

1 I

2

L

i(d) I

2

1

1

--- -----3

1

2

L

:

0

'--·--

I

\

'Yz

'l'l

\

i i

1

-1

L 8. Statistics of imaginary parts of Riemann zeros, computed by A.M. Odlyzko. (a) P(S) (from Odlyzko 1987); (b) number variance E(L) ((n-£) 2 ), where n is the actual number of.zeros in an interval where the average number is L (the interval is 21tL/ln(E/21te)) (from data kindly supplied by A.M. Odlyzko); (c) Skewness y 1 (L) ((n-£) 3 )/((n-£) 2 )! (kindly supplied by. 0. Bohigas); (d) excess y 2 (L) ((n-£) 4 )/((n-£) 2 ) 2 -3 (kindly supplied by 0. Bohigas). Full curves, random complex hermitian matrices; dashed curves, random real symmetric matrices.

FIGURE

=

=

=

This equation does not possess time-reversal invariance. Figure 9 shows the spectral statistics when V(x,y) represents a hard wall (neutrino billiards), showing once again the statistics of complex hermitian random matrices if the billiard is classically chaotic, and Poisson statistics if it is regular. Originally I hoped, following a suggestion of Professor Atiyah, that this kind of relativistic quantum chaology might help in the search for the elusive Riemann operator, but this has not yet proved to be so. However, Volkov & Pankratov (1985) and Pankratov et al. (1987) have recently discovered that an equation very similar to (7) appears to describe peculiar electron states localized in the interface between certain pairs of semiconductors (e.g. PbTe and SnTe, and HgTe and CdTe). There is a fourth universality class, associated with chaotic systems that have time-reversal symmetry and also half-integer total spin (Porter 1965), but I will not speak about it. So far we have seen that on fine scales the statistics of spectra fall into universality classes that depend on whether the classical motion is regular or chaotic, and on the symmetry of the energy operator. Now I have to explain how this universality is compromised in two ways.

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The Bakerian Lecture, 1987

2

0

0.5

s

4

3

193

5

I

I I.

/•

I I.

0.4

I

I I I.

fe

circle

I I.

,.;, I

0.3

I

l•

,."•

A

.. ·······:Africa

I

0.2

• ,.-

0.1

0

.·.

•• 1::11:1

c

.,ca

aa 0 a 0 °aa 0 a a aD

I

I

....

.... DDC

0 DaDDd

"a

~.··D I •

20

FIGURE 9. (a) Cumulative level spacings distribution JgdxP(x) and (b) spectral rigidity LJ(L), for neutrino 'Africa' and neutrino circle billiards. Full curves, random complex hermitian matrices; dotted curves, random real symmetric matrices; dashed and chain curves, Poisson statistics. 7

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M. V. Berry

194

First, some very important systems are partly regular and partly chaotic in their classical motion; vibrating molecules, for example. Their spectral statistics can be understood as those of a superposition of spectra from different universality classes, each spectrum being associated with a different chaotic or regular region in classical phase space (Berry & Robnik 1984). Figure 10 shows some recent calculations by Wunner et al. (1986), of the spacings distribution of the zeroangular-momentum, even-parity electron levels of a hydrogen atom in a very strong magnetic field (6T), in three different energy ranges. The point is that the

(a)

(b)

p

(c)

0

2

4

s FIGURE 10. Level spacings distributions P(S) for even-parity, zero-angular momentum energy levels of a hydrogen atom in a 6T uniform magnetic field, for three different energy ranges with different phase-space fractions q of regular orbits: (a) -130 cm-1 < E < -100 cm-1 (q=0.71, 47levels); (b) -100cm-1 + oo(Le, as Rez -il'+ oO). of the Riemann staircase is

Now pretend {more

about

logarithms.

that this

the product formula later),

substitute

Moreover

Therefore the fluctuating part

( 2a)

can be used when

into

(17)

and

Rez=l/2

expand

the

This gives ( 18)

which apart from a sign, to be discussed later, has the same form as the semiclassical expression (16) if the following identifications are made:

the label p for primitive closed orbits denotes prime numbers:

the actions of the closed orbits are

sf"'

= ... ~:; f.np

.

)

(19)

Planck's constant b is unity, so that the semiclassical limit is E..,.oO; and the instability exponents (independent of E) are

'\ "' lnp .

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(20)

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330   A Half-Century of Physical Asymptotics and other Diversions 8

It is worth remarking that it follows from {19) that the periods of the closed orbits would be (21)

There is thus a formal analogy between fluctuations of the Riemann staircase and fluctuations of the spectral staircase of a classically chaotic system.

other reasons

symmetry.

Because of the distinctive GUE statistics ( and for

[10])

the classical orbits must lack time-reversal

Mathematicians have noticed essentially the same analogy as

that between (15) or (16) and (18), in the context of a special case

for which a certain transform of (15} is exact rather than asymptotic. This is the Selberg trace formula, which equates a sum over eigenvalues of the Laplace-Beltrami operator (playing the role of

Eben

a manifold

of constant negative curvature to a sum over closed geodesics on this manifold

(all unstable,

(see McKean. [20]

Le.

chaotic).

and Hejhal

[21]) this analogy has not led to the

identification of the mysterious properties (19-21). Pavlov and Faddeev than bound)

But despite extensive study

'Riemann'

classical system with the

The 'closest approach' has been the discovery by [22]

and Gutzwiller

system whose phaseshifts

[23)

of a scattering

(rather

(rather than energy levels)

are

given by £ l rr

- E C~ ~ 1 n 1/2.

Q(E): [J(E/2rr)]

+ l((E)

(33)

( 34)

is a series of remainder terms

cancel the discontinuities E-dependence of the limit Q.

[ 11 whose main effect is to

of the main sum arising from the Fig.6 shows how accurate the formula is,

even for small E.

IW-•E)[

0

\1

I

Fig. 6. Comparison of {~-iE) (full line) with Riemann-Siegel formula plus one correction term (dotted line). (The number Q(E) of terms in the sum (33} changes from zero to one at E=2r, indicated by a tick)

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336   A Half-Century of Physical Asymptotics and other Diversions 14

Now I will outline how the Riemann-siegel formula can be obtained

from the series (2b) by an argument with a semiclassical interpretation suggesting

a generalization.

First

note

that

in obtaining

by

(2b)

expanding the products in (2a), use is made of the factorization theorem that for any integer n we can write

e. n

~ 2>'r fnp

( 35)

f with a unique choice of the set of

integers

Imp =0, 1, 2 ••• } •

On the

semiclassical analogy, the sum index n can thus be interpreted as runing over all possible combinations of orbit periods (c£.21). Each

such combination lnn will be called a pseudoperiod (pseudoperiods where all mp except one are zero are periods of actual orbits).

Next, split the sum (2b) into two, with pseudoperiods with n less than and greater than some initially arbitrary value Q, and apply Poisson's summation formula to the second sum: I (-i: -

(c ,.,, )

~

e>0

-.,

J

Therefore W(E) has zeros at the eigenvalues Ej. sufficiently large

Im E the

fluctuations

(44)

J

On the other hand, for

g-

can be

approximated

semiclassically by the analogue of (16) (which replaces the analogue of (15) by an argument similar to that centred on (27) and (28)). Thus

w(E') :

/ '

0.2

f-

~

/,

I 0.1

L __ __ L_ _ _ ~-----L--~----~----~--~----~--~--~

0

1

L

Figure 1. Number variance V(L; x) of the Riemann zeros, for 0""' L ""'2 and x = 1012 . Dots: computed from the zeros by Odlyzko; full curve: semiclassical formula (19) with '!'' = ~; broken curve: number variance of the GUE; chain curve: number variance of the Gaussian orthogonal ensemble (GOE) of real symmetric random matrices.

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405

Number variance of the Riemann zeros

0.5

0.4

0.3 ~ c::

c ·~

0.2

0.1

10

20

L

Figure 2. As figure 1 but for 0,;;; L,;;; 20

(GOE not shown I.

0.60,-------------------------.

osl I

"'~II 0.350

20

40

60

80

100

Figure 3. As figure 2 but for 0,;;; L,;;; 100 and with stars rather than dots for the variance computed from the zeros (GUE not shownl.

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[3.5]  347

406

M V Berry 0.60,---------------------,

0.50

0.35~-----;;';;-;------;;-!-;----;;:';;----~:;-::;---~

900

920

940

960

980

1000

Figure 4. As figure 2 but for 900,; L,; 1000, with the 'exact' and semiclassical variances drawn as smooth curves (the 'exact' curve is more jagged) (GUE not shown).

In figure 2 the range is 0,;; L,;; 20. Again 'theory' and 'experiment' agree. The variance ceases to be even a rough approximation when L- 5, as expected, and the maximum near L = 13 signals the onset of asymptotic oscillation. In figure 3 the range is 0,;; L ,;; 100. The asymptotic oscillations are now obvious, and quasirandom as expected with the predicted amplitudes, wavelengths and mean values. (The oscillations come from the double sum in (19), and not from the Ci and Si functions.) Slight discrepancies are visible: the 'theoretical' peaks are noticeably lower than the 'experimental' ones. In figure 4 the range is 900 ,;; L ,;; 1000. Again the quasirandom oscillations agree very well with semiclassical theory. There are, however, some rapid oscillations with !l.L = 1 which the semiclassical formula cannot reproduce (from (22) this would require p'- E/2n- 4 x 10 10 which is excluded from (19) because it would imply T* = 1 in violation of (13)). The rapid oscillations are probably an artefact of averaging, because when L = 1000 there are only 100 independent samples. Over the whole range 0,;; L ,;; 1000 the largest difference between the 'exact' and semiclassical variances is 0.003 (over the range 0,;; L,;; 100 it is 0.002). It therefore appears that semiclassical theory gives a uniformly accurate description of the correlations in the heights of the zeros in both the universal and non-universal ranges-at least for this statistic. It is worth remarking that the transition from universal to non-universal spectral statistics has not yet been seen in any honestly quantum Hamiltonian with a chaotic classical limit, because not enough eigenvalues have been computed (the transition has been seen for an integrable system (5]). To forestall premature optimism it must be explained why zeros near r = 10 12 might not be in the fully asymptotic regime. The whole analysis was based on pretending that ~(~ + iE) is described for real E by the Euler product over primes, GUE

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407

whereas of course this does not converge unless Im E < - ~. This could mean that pairs of zeros with Em+l- Em+(X)}+iS(X; k)M_(X; k) exp{kif>_(X)} (Reif>+(X) > Reif>_(X)),

(1)

where the dominant and subdominant contributions are labelled + and -, and the factor i is inserted for later convenience. The prefactors M ± vary slowly with X and their k-dependences are simple powers. Attention will here focus on the Stokes multiplier Junction S(X; k) weighting the subdominant exponential; this varies rapidly when X is near the Stokes line of y, where (2)

On the Stokes line (a set of codimension 1) it can be said that the dominance of + over - is maximal. [ 7 ]

Reprinted from Proceedings of the Royal Society A, Volume 422, (1989).

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8

M. V. Berry

The need to retain the subdominant term, even though it is numerically insignificant in (1) ask-+ oo, and the need for Stokes's multiplier, both spring from a common cause; maintaining the validity of (1) when X crosses anti-Stokes lines (far from Stokes's lines) on which Re [¢+ -¢_] = 0 and the exponential previously called - becomes the dominant one. (Readers are warned that some authors employ the term Stokes line to denote what we here call an anti-Stokes line, and vice versa.) A simple illustrative example, to which we shall later return, due to Stokes (1864) and well described by Dingle (1973, hereinafter called I) is the complex error function y(X;k)

~

f,.

dtexp(kt'),} (3).

(Z = X 1 + 1X2).

Near the positive real Z axis the dominant contribution toy ask-+ oo comes from the end-point of integration t = Z; y "' (2kZt 1 exp (kZ 2 )

(Z positive real).

(4)

Thus ¢+ = Z 2 and M+ = (2kZt 1 • Near the positive imaginary axis this would predict that y is exponentially small, which is false because the integral is then dominated by the stationary point at t = 0, giving

y"' i(rt/k/'•

(Z positive imaginary).

(5)

This would suggest the asymptotics

y"' (2kZ)- 1 exp(kz 2 )+i(rt/k)i

(6)

involving ¢_ = 0 and M_ = (rt/ k)i. Thus the Stokes line (2) is the real axis X 2 = 0, and the anti-Stokes lines, where dominance is exchanged, are the diagonals X 1 = ±X2 . But (6) fails near the negative imaginary axis because it would predict y"' i(rt/k)i whereas it is obvious from (3) that y is exponentially small and given by the continuation of (4). To encompass the three regions discussed, we must write y "' (2kZt 1 exp (kZ 2 } + iS(Z; k) (ref k)i, (7) incorporating Stokes's multiplierS which must change from 0 to 1 between the anti-Stokes lines X 2 = -X1 and X 2 = +X 1 • This change in S is Stokes's phenomenon. The conventional view (Stokes 1864) is powerfully (and unconventiona lly) argued by Dingle in I. It asserts that the change inS is discontinuous and localized at the Stokes line: on one side, Stakes a value, S_ say; on the other, S = S_ + 1; on the line itself, S = S_ +!. For the example (3) the intuition behind this vie~ is illustrated by figure 1, which shows how the steepest-desce nt contours of the integral (Im t 2 = Im Z 2 ) change discontinuousl y across the Stokes line, suddenly bringing in the subdominant contribution from the stationary point at t = 0

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Smoothing Stokes's discontinuities (a)

9

(b)

z z c

Ret-+

FIGURE 1.

Steepest-descent contours of (3) from t = -ioo tot= z = xl +iX2, for three values of Z near the Stokes line X2 = 0.

(S_ = 0 in this case). It is worth repeating Stokes's description of the asymptotic emergence of his discontinuity. As a Stokes line is crossed, ... the inferior term enters as it were into a mist, is hidden for a little from view, and comes out with its coefficient changed. The range during which the inferior term remains in a mist decreases indefinitely as [the asymptotic parameter] increases indefinitely. (Stokes 1902) From the context it is clear that Stokes is referring to asymptotic series interpreted by truncation near their least term. My aim here is to dispel Stokes's mist and show that his discontinuity is an artefact of poor resolution: with the appropriate magnification, S changes smoothly. Moreover, with the appropriate variable to describe the crossing of Stokes's line the change in the function S(X; k) is universal, that is, the same for all problems in a wide class. Obtaining this result requires control of the magnitude of the dominant exponential contribution with error small compared to the size of the subdominant exponential. Such control will be achieved by analysing the dominant asymptotic serles (in descending powers of k) of which only the first term is included in (1). The series is y(X; k) = M+ exp (k¢+)

~ ar,}

r=l

(a0

(8)

= 1; ar OC k-r).

This diverges and so is numerically meaningless, but Dingle (I) explains how it can nevertheless be regarded as a coded representation of y, which can be reconstructed exactly (in principle and sometimes in practice) by proper interpretation of the late terms r ~ 1. The interpretation reveals how the subdominant exponential (together with S) originates from the divergence of the late terms. My derivation of the leading-order functional form of S across a Stokes line is a silJlple development within Dingle's interpretative scheme.

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10

M.V.Berry 2.

DERIVATION OF THE STOKES MULTIPLIER FUNCTION

The obstruction preventing the series in (8) from converging is the existence of the subdominant expo?ential. (In the example (3) the series appended to (4) is obtained by an_ expansion about the integration limit t = Z, and divergence originates. i~ the stationary point at ·t = 0.) This subdominant exponential engenders in the late terms ar a remarkable universality, best expressed in terms of the complex quantity (9)

Dingle calls this the singulant; on a Stokes line, it is real and positive. He shows that M_(r-f:J)!

as r-+ oo.

ar-+ 21tM Fr-fl+l +

(10)

For example, if y is defined by an integral for which (as in the example (3)) the dominant exponential comes from a limit of integration and the subdominant one from a stationary point; then f:J = l (I, pp. 111, 145). If y is defined by an integral for which both exponentials are associated with stationary points, then f:J = 1 (I, pp. 135, 145).. Ify is a solution of a second-order differential equation, say o~ y = PQ(Z) y

(11)

with Re Q > 0 in the region of Z = X 1 + iX 2 being studied, for which the exponentials come from the two primitive phase, integral (JWKB) approximations (giving M± = Q-l and ifJ± = ± a Qldz'

.

fz

where a is a simple zero of Q2{Z)), then again f:J = 1 (I, p. 299) (for an nth-order zero, (lO) is multiplied by 2 cos (1tj(n+ 2))). To interpret (8) Dingle employs Borel summation, not for the whole series as is customary, but for the nth term and beyond, where n is close to the value r "" IFI for which ar is least. Assuming this formal procedure is valid, we obtain, by using (10),

n-1

y

~M+exp(kifJ+) ~

ar+iM_Sn(F)exp(kifJ_),

(12)

r-o

_ -i

-

00

(r-f:J)!

Sn(F) = 21t exp (F) r~n Fr-{J+l

where

(13)

The interpretation is obtained by writing the factorial as an integral and performing the summation Sn(F) =

- i exp (F) J.oo 21tF1-fJ

_ ·oo

o dSexp ( -S)S fJ r~n

_ -iJ00 tn-flexp{F(1-t)} · --2 dt 1 . 1t

0

-t

(s)r F (14)

To complete the interpretation it is necessary to specify the t-contour relative to the pole at t = 1. This corresponds to specifying the contour of integration (as

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[4.1]  389

11

Smoothing Stokes's discontinuities

will be illustrated later), or the desired solution of a differential equation, when defining y. Different choices differ by real constants, corresponding to the value of the quantity S_ in section 1. We specify that the contour passes above t = 1, so that 00 d tn-Pexp{F(1-t)} S. (F)= 1 (15) ' 1-t 21t 0 t 2 n

_J_f

where now the principal value of the integral is taken. This choice corresponds to the situation in example (3), where the Stokes multiplier switches on from zero (S_ = 0) as ImF increases through zero. Now we identify Sn as the Stokes multiplier and determine its dominant asymptotics when F is large and nearly real. ·A crucial simplification (corresponding to the evaluative interpretation of asymptotic series adopted by Stokes) occurs if we truncate the r-sum near its least term, that is at (16)

n-1 = Int(IFI+a),

where a is of order unity (as is fJ). With this truncation, the stationary point of (15) almost coincides with its pole t = 1, whose neighbourhood therefore dominates the integral. Let (17) F=A+iB (where A and Bare real with A~ 1 and B

n-fJ=A+p,

i.e.

~A)

and

p=Int(IFI+a)-fJ-A+1,

(so p is of order unity) and change variables to x integrand in (15) to third order about x = 0 gives Sn(F) = l + i-

= t-1.

(18)

Then expanding the

d.x foo -exp{(A+p)ln(1+x)-Ax -iBx}

21t _1

X

:::::: !+ 21 Joo dx(1 + px+!Ax3 )exp ( -lAx2 )(sinBx+icosBx)fx 1t -oo =

4(1 +~ J: ~ exp ( -lAx +

2~ J~oo dxexp ( -lAx

2)

2)

sinBx)

(p+lAx2 ) cosBx

1

1

= •1

·v 1t

J~/(2A)i

-oo

dtexp( -t2 )-i(27tA)-l(Fract{IFI +a}

+fJ-a-t-B2 /6A) x exp ( -B2 /2A). The real part dominates, and comparison with (1) and (12) yields the change in the Stokes multiplier as 1 S(u) = . 1 ·v 1t

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fu

-oo

dtexp ( -t2 )

(20)

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M. V. Berry

12 involving the Stokes variable o-(X; k)

= Bj(2A)t =

ImF /(2 ReF)!

= klim(¢+- rather than being exact for all r. , Stokes (1964) himself illustrated the change in the multiplier, by computing an Airy function at two complex arguments with phases ± 30° from a Stokes line, and a common modulus for which IFI = y128. Then (30), (21) and (20) give CT = -2 and S(CT) = 0.005, for which the change has barely begun, and CT = +2 and S(CT) = 0.995, for which it is virtually complete.

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Smoothing Stokes's discontinuities

19

~I 1

0 5. Stokes multiplier function for Airy function of the second kind (Bi) (equation (29)) for (a) singulant IFI = 5; (b) singulant IFI = 25. The upper curves are the 'theoretical' multipliers (RHS of (34)) and the lower curves are the 'experimental' multipliers (LHS of (34)) for (the number being the truncation N when the saddle n first appears). Because of this finite information, hyperasymptotics will halt with a finite remainder. It might seem natural to make the remainder as small as possible by choosing a large starting truncation, and indeed arbitrary accuracy can be obtained in this way, as we showed in I. However, such schemes are unnatural because they lead to series whose terms get very large before decreasing, thereby violating the' live now, pay later' philosophy underlying asymptotics, where ultimate accuracy is sacrificed for improvement at every stage. (Without this philosophy, one could as well use the convergent series in k which can be found in many cases, but which are computationally inefficient when lkl is large.) To preserve the spirit of asymptotics, we shall consider each scattering path separately and demand that the successive series it generates are optimally truncated; that is, truncated near their least terms, so that the remainders R< 0 · · .s> for each s along the path are smallest. In determining the optimal Ns, we shall make use of the concept of the nearest saddle to a given saddle n, defined as the adjacent saddle m with the smallest singulant modulus 1Fnm1· As in (21), we shall denote nearest saddles by asterisks, so that, for example, the path 0123* is the path starting at saddle 0, going through given saddles 1 and 2, and ending at the saddle 3* nearest to 2. In an adjacency diagram such as figure 5, nearest saddles can be indicated by arrows. To determine the optimal truncations we must estimate the remainders R< 0 • • .s>. Proc. R. Soc. Land. A (1991)

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[4.3]  411

667

Hyperasymptotics for integrals with saddles saddles n

2

3

4

5

0

l

3

4

Figure 7. One of the multiple scattering paths in figure 6 (thick line) together with nearest saddles (*) contributing at each level of truncation (shown linked to their progenitors by thin lines). For the second iteration the nearest saddle (3) is also the next saddle on the actual path.

This we do by approximating TO. Across the caustic z 0, something peculiar happens: one real exponential (on the dark side) has transformed into two complex ones (comprising the sine on the bright side). How has the second exponential appeared? Sudden appearances of exponential terms are common in physical asymptotics. For example in radioactive decay the above formulae give semiclassical approximations to the

=

10480-04-04.indd 421

small exponential switches on

bright side

dark side

2 Airy's rainbow function Ai(z), with small exponential switching on across Stokes line in the complex plane

quantum tunnelling of a particle from a potential well (inside the nucleus) into a barrier. The character of the wave changes from oscillatory to decaying at the classical turning point (where the particle momentum is zero) . The above approximations based on exponentials are supposed to be valid in the asymptotic regime where 0 can be regarded as small (i.e. the wavelength or, in the quantum case, Planck's constant, are small compared with characteristic parameters of the problem). But they fail at caustics and turning points, obscuring the transitions to geometrical optics (i.e. from waves to rays) and classical mechanics. Among crossovers between theories in physics, smooth transitions - as with special relativity - are exceptional; usually the limits are singular. Other examples are the transitions from statistical mechanics to thermodynamics, where the singularity describes critical phenomena, and from viscous to inviscid flow, where it involves turbulence. This is not to say that the theories are necessarily incompatible - each is self-consistent and agrees well with observation in its own domain. Singularities mean that on the borderline between the theories there is a wall impenetrable to elementary mathematical interpretation. Only now are non elementary interpretations being devised, making some of these walls transparent.

Stokes and the rainbow In 1838, Airy devised a diffraction integral Ai(z) (see box) representing, for each colour, the variation of the wave across a rainbow (the intensity is Ai 2 (z)). He was, however, unable to compute Ai(z) far on the bright side (z large and negative) and so compare his theory with measurements of the angles of supernumerary bows (and make the connection with geometrical optics) . This was because, although he had found a convergent series, the number of terms needed to get a satisfactory approximation increased with Iz I, and the integral itself converged very slowly. This situation is similar to that in quantum chromodynamics today, where technical difficulties inhibit the calculation of observed quantities. In 1847, Stokes devised approximations for Ai(z) in the desired asymptotic regions Iz I» 1 (that is, far from the caustic at z = 0), and showed that the function behaves as a damped exponential on the dark side (positive z) and sinusoidally on the bright side. The accuracy increased with Iz I, and was sufficient to enable comparison with measured supernumerary bows. Stokes attacked the problem posed by the different numbers of exponentials

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422   A Half-Century of Physical Asymptotics and other Diversions Physics World

June 1993

37

terms is retained, and the divergent tail discarded and replaced by an exact remainder. The accuracy of the truncation can then be gauged by an estimate of the remainder, which has to be calculated separately for each function. In this work, divergent and convergent series are treated on the same basis, so the main ... • i:' issue of divergence is side-stepped. :s ~ ·. .... In particular, Poincare asymptotics fails - 10 to achieve the accuracy of truncation at the 0 5 10 15 20 25 least term. For this reason, we call Stokes' technique of optimal truncation "superasymptotics" (reflecting Ke I vin' s description of it as "mathematical supersubtlety"). But even superasymptotics cannot provide a detailed description of exponential effects such as the Stokes phenomenon. For this, we need what Martin Kruskal of Rutgers University 3 Dingle's universal "factorial divided by power" emerges from complicated formulae for late calls "asymptotics beyond all orders"· terms of an asymptotic series (in this case for an integral with a saddle) In the 1950s, R B Dingle, a physicist at St Andrews, returned to the original ideas on the two sides. He realised that the key lies in regarding z of Stokes and confronted the divergences head-on, as a complex variable (figure 2). The second exponential introducing ideas which have n.ow led to a great appears across certain lines (now called Stokes lines) on a simplification in their interpretation. He regarded the path in the z plane from the dark to bright sides (positive to divergent tail of a formal expansion not as indicating lack negative real axes) avoiding the caustic singularity at z 0. of precision but rather as a source of information to be On Stokes lines, the nascent exponential is smallest decoded to reveal the remainder. Dingle traced the (subdominant) relative to the other. The birth of the divergences of asymptotic series to singularities (for example the caustic at z = 0 in the rainbow). This led him subdominant exponential is called the Stokes phenomenon. (On the bright side, the second exponential becomes to the result that whole classes of singularities arising in the second ray in the interfering pair.) physics determine the form of the high-order (late) terms A major feature of Stokes' analysis was his appreciation in a universal and simple way. This is astonishing because that the pure exponentials in his approximation should the early terms are not universal and are usually very each be multiplied by a series of corrections (see box) that complicated (figure 3). If k (proportional to l/8) is the large are powers of liz. He obtained these by solving the asymptotic parameter in such a series then Dingle's differential equation that Ai(z) satisfies, anticipating the common form for the late terms T, is WKB method of wave mechanics. The resulting asymptoT, oc (r- 1)!/k', tic series was expected to give better approximations for r»l. larger Iz 1. As it turns out, successive terms do get smaller initially, and the accuracy is indeed improved by including An example is given in the box (there, k = 4z312 /3). them, but then the terms begin to increase, and the series For large k the terms rapidly diminish at first, but the diverges. For numerical purposes the optimal procedure is factorial in the numerator eventually dominates the power to truncate the series at its least term. in the denominator, and the terms increase unboundedly. However, something has gone wrong, because since the The least term has r~ I k I and size exp(-1 k I), i.e. series diverges its numerical sum would be infinity rather exponentially small. This is a common pattern of than Ai(z). The mathematical description of the physics is divergence, not restricted to the Airy and other mathemaformally exact - there has been no approximation in the tical functions but also describing - as was later discovered calculation of the correction terms - but we need to - the divergences of series with much more complicated interpret the infinite result to rescue something sensible. structure, such as those in quantum field theory (where, for Stokes appreciated that the divergence of series representexample, 0 could be the fine-structure constant). ing physics in asymptotic regimes is not peculiar to Airy's Dingle used his late term approximations in conjunction rainbow integral but is a general phenomenon. with a procedure called Borel summation, in which the It turns out that, far from being a hindrance, the factorial is replaced by a well known integral representation. divergence of the asymptotic series, suitably interpreted, Thus he interpreted the infinity and obtained a finite actually explains the Stokes phenomenon. In his prescient representation of the divergent tail directly, in the form of but crude analysis Stokes thought that the birth of the readily calculable integrals called terminants. These extend second exponential is a sudden event; in fact it occurs beyond superasymptotics, and constitute a decoding of the smoothly, but it was more than a century before the details information contained in the divergent tail. The universwere discovered. ality of the late terms is mirrored in the universality of the terminants, which depend only on k and the order of the term where the series is truncated. Universal divergences Terminants can also be adapted to give a refined Mathematicians responded to Stokes' work by ignoring it. description of the Stokes phenomenon. In 1988 we The theory of asymptotic series developed along different showed that if an asymptotic series is optimally truncated, lines, initiated by Poincare in the 1880s. For each function i.e. near its least term r ~ I k I, the terminant reproduces possessing an asymptotic series, only a fixed number of the subdominant exponential switching on across the

~~=10

=

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[4.4]  423 38

Physics World

June 1993

Stokes line. The form of the switching is universal, and consists of an error function (probability integral) multiplying the exponential, and rising smoothly from 0 to 1 over a range proportional to l!J Ik I (figure 2). Resorting to paths in imaginary space to explain the births of exponentials might appear to be a mathematical nicety of no relevance to the physical world, but the complex approach enables the asymptotics to be followed smoothly around a seemingly impenetrable singularity. Moreover, the Stokes phenomenon can occur for real variables. For example, a quantum system driven by slowly changing forces can jump between states, in a transition whose probability diminishes exponentially with slowness. The history of the transition, that is the growth of the occupancy of the new state, is the switching-on of a small exponential. Using an appropriate measurement (the physical counterpart of optimal truncation) the switching would conform to the universal error function. Therefore the Stokes smoothing could be studied experimentally. The Stokes phenomenon also occurs in inflationary models of cosmology. E Calzetta (Buenos Aires) showed that in a "mixmaster" model of the early Universe the smooth creation of exponentially small numbers of particles is represented by universal error functions. A multitude of such smooth creations stokes the inflation of the Universe.

Resurgence and hyperasymptotics The simple "factorial divided by power" formula for T, is only a first approximation to the late terms. Dingle also found an asymptotic series for the corrections. A remarkable and beautiful feature is that Dingle's series connects the terms in the different asymptotic series representing a given function. For example, the late terms of the asymptotic series multiplying a dominant exponential can be expressed systematically by the early terms of a subdominant series, and vice versa. For functions with many exponentials (such as integrals in diffraction theorv

zeroth stage of hyperasymptotics is Stokes' superasymptotics. Successive applications of the procedure generate exponentially smaller contributions, in the form of further optimally truncated asymptotic series. Unlike other summation procedures, the successive "hyperseries" automatically incorporate all Stokes phenomena associated with the successive small exponentials. As an example, consider the integral N(k)

= Vk

j

+oo

-oo

dzexp (-k(z

first hyperasymptotlc iteration

2.0 ~

~ "'

------rI I

),

k>O

superasymptoliCS

-2.5

0

16

2

Small exponentials are common in nonlinear physics, and it is perhaps here that the new theories could be most fruitful. For example, Kruskal and others have recently used exponential asymptotics to elucidate the influence of surface tension on the selection and stability of viscous

l

1.9

1)

Recent applications

~

g

-

where k is the (large) asymptotic parameter. This arises in a field theoretic model of a particle (called an instanton) tunnelling between two wells at z = ± 1 (a slightly modified version counts Feynman diagrams in certain statistical and field theories). When k is large, the asymptotic series derived from N(k) is dominated by two exponentials, related to the wells. There is also a third contribution, a factor exp(-k) smaller than the other two, arising from the peak at z =0 of the potential barrier separating the wells. It is this small exponential that can be physically interpreted as the tunnelling of an instanton through the barrier. Hyperasymptotics. can discriminate between the three contributions (figure 4) and generate accurate approximations even when the "large parameter" k is smaller than unity, where Poincare asymptotics and superasymptotics certainly fail. Moreover this integral lies precisely on a Stokes line, where the instanton is created, which is a regime conventionally regarded as not amenable to Borel summation.

superasymptotics

2.1

2

~

-5 -7 5

- 10

~~~erasymptotic/ Iteration

- 12.5 - 15 2.5

0.0

5.0

7.5

10.0

12.5

15

4 Superasymptotics and several levels of hyperasymptotics for the instanton integral

or statistical mechanics, whose saddles represent rays or equilibrium phases), all associated asymptotic series are similarly related. These formulae are called resurgence relations, after a related idea developed in the 1980s by the mathematician Jean Ecalle of Orsay. By the sequential use of resurgence relations and Borel summation, it is now possible to get very accurate reconstructions of functions from their divergent series. This is a systematic extension of superasymptotics, developed since 1990; we call it "hyperasymptotics". The

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fingers when one fluid is forced into another, and to analyse a geometric model for dendritic growth of crystals. And in chaology Vincent Hakim of the Ecole Normale Superieure in Paris and others have summed divergent perturbation series in accurate calculations of the exponentially small widths of the chaotic regions that open up when a non-chaotic system is perturbed. A notable success of the new approach has emerged from quantum chaology, where a long-standing problem is to calculate the energies of high-lying states of microscopic

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424   A Half-Century of Physical Asymptotics and other Diversions Physics World

June 1993

39

systems whose classical limit is chaotic (e.g. atomic electrons in strong magnetic fields). This requires semiclassical approximations, where the small parameter o is proportional to Planck's constant h. In 1971 Martin Gutzwiller of IBM Yorktown Heights obtained an asymptotic representation of the quantum spectrum as a sum over classical periodic orbits, but this diverges. Now it has been summed exactly, using resurgence to generate exponentials required to make the series behave sensibly. One outcome has been to provide greatly improved energies for quantum mechanics on odd-shaped billiard tables (a natural testing-ground for theories in quantum chaology). The main achievement, however, has been the application of semiclassical resurgence to the Riemann zeta function (related to deep problems of mathematics through its connection with prime numbers). The zeros of this function are analogous to energy levels in quantum chaology (see "Physics and the queen of mathematics" by Jonathan Keating Physics World April 1990 pp46-50, and "Semiclassicists saved from infinity" by Tania Monteiro Physics World October 1991 pp21-22). Until recently, the zeta function was computed by a technique the Riemann-Siegel formula - which, although very accurate, involves discontinuities detrimental to the computation of zeros. However, the Riemann zeta analogue of the new quantum formula is readily calculable, involves no discontinuities, and gives, term for term, approximations orders of magnitude better than its Riemann-Siegel cousin.

Prospects Asymptotics was conceived in Victorian times, when it provided the fastest and most accurate means of approximation. Now that workstations with powerful numerical routines (e.g. for integration) are standard desktop furniture, the need for some of the purely numerical applications of asymptotics has diminished. On the other hand, computer algebra now makes it practicable to evaluate many terms of asymptotic series which were previously impenetrably complicated, thereby opening new areas of application. Moreover, the computational role of asymptotics is being supplemented by their vital use as an analytical tool in understanding the behaviour of physical systems with small exponentials. After a sudden emergence - reminiscent of chaology in the 1970s - asymptotics is now perceived as a common thread in many different fields. This has been reflected in at least three recent international conferences, and a sixmonth workshop being planned for 1995 at the Isaac Newton Institute in Cambridge.

Further reading M V Berry and C

J Howls

1991 Hyperasymptotics for integrals

with saddles Proc. R. Soc. Lond. A434 657-75

M V Berry and J P Keating 1992 A new approximation for s(l/2+it) and quantum spectral determinant Proc. R. Soc. Lond. A437 151-73 R B Dingle 1973 Asymptotic Expansions: Their Derivation and Interpretation (Academic Press, New York and London) R Lim and M V Berry 1991 Superadiabatic tracking for quantum evolution J. Phys. A: Math. Gen. 24 3255-64 H Segur and S Tanveer (eds) 1991 Asymptotics Beyond All Orders (Plenum, New York) Michael Berry and Christopher Howls are in the Department of Physics, H H Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 Hl, UK

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I

22-05-17 10:19:20 AM

[4.5]  425

Divergent series: taming the tails

say now, this expansion of the factorial function is a factorially divergent asymptotic series. The explicit form of the series, written formally as an equality, is p log(z!) = (z + 1/2) log z + log 2⇡ − z 1 1 X ar + 2 (−1)r , 2⇡ z r=0 (2⇡z)2r

M. V. Berry1 & C. J. Howls2 1 H. H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, UK 2 Mathematical Sciences, University of Southampton, Southampton, SO17 1BJ, UK.

1

where

Introduction

ar = (2r)!

By the 17th century, in what became the theory of convergent series, it was beginning to be understood how a sum of infinitely many terms could be finite; this is now a fully developed and largely standard element of every mathematician’s education. Contrasting with it is the theory of series that do not converge, especially those in which the terms first get smaller but then increase factorially: this is the class of ‘asymptotic series’, encountered frequently in applications, with which this article is mainly concerned. Although now a vibrant area of research, the development of the theory of divergent series has been tortuous and often accompanied by controversy. As a pedagogical device to explain the subtle concepts involved, we will focus on the contributions of individuals and describe how the ideas developed during several (overlapping) historical epochs, often driven by applications ranging from wave physics to number theory. This article complements the accompanying Companion article by P D Miller on ‘Perturbation Theory (including Asymptotic Expansions)’.

2

1 X

1 . 2r+2 n n=1

Bayes claimed that Stirling’s series “can never properly express any quantity at all” and the methods used to obtain it “are not to be depended upon.” Leonhard Euler, in extensive investigations of a wide variety of divergent series beginning several years after Bayes, took the opposite view. He argued that such series have a precise meaning, to be decoded by suitable resummation techniques (several of which he invented): “if we employ [the] definition . . . that . . . the sum of a series is that quantity which generates the series, all doubts with respect to divergent series vanish and no further controversy remains.” With the development of rigorous analysis in the 19th century, Euler’s view, which as we will see is the modern one, was sidelined and even derided. As Niels Henrik Abel wrote in 1828: “Divergent series are the invention of the devil, and it is shameful to base on them any demonstration whatsoever.” Nevertheless, divergent series, especially factorially divergent ones, repeatedly arose in application. Towards the end of the century they were embraced by Oliver Heaviside, who used them in pioneering studies of radio wave propagation. He obtained reliable results using undisciplined semi-empirical arguments that were criticised by mathematicians, much to his disappointment: “It is not easy to get up any enthusiasm after it has been artificially cooled by the wet blanket of rigorists.”

The Classical Period

In 1747, the Reverend Thomas Bayes (better known for his theorem in probability theory) sent a letter to Mr John Canton, F.R.S; it was published posthumously in 1763. Bayes demonstrated that the series now known as Stirling’s expansion for log(z!), “asserted by some eminent mathematicians,” does not converge. Arguing from the recurrence relation relating successive terms of the series, he showed that the coefficients “increase at a greater rate than what can be compensated by an increase of the powers of z, though z represent a number ever so large.” As we would

3

The Neoclassical Period

In 1886, Henri Poincar´e published a definition of asymptotic power series, involving a large parameter z, that was both a culmination of previous 1

Reprinted from The Princeton Companion to Applied Mathematics, (ed: N. J. Higham) Princeton University Press, Copyright © 2015 by Princeton University Press.

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426   A Half-Century of Physical Asymptotics and other Diversions 2 -2

Ai(z)

-4

z

log10|error|

z

-6 -8

0

n

10

20

30

40

Figure 1: Left: rainbow-crossing variable, along any line transverse to the rainbow curve. Middle: Airy function. Right: error from truncating asymptotic series for Ai(z) at the term n − 1, for z = 5.24148; optimal truncation occurs at the nearest integer to F = 4z 3/2 /3, i.e. n = 16.

work by analysts and the foundation of much of the rigorousP mathematics that followed. A series 1 of the form n=0 an /z n is defined as asymptotic by Poincar´e if the error resulting from truncation at the term n = N vanishes as K/z N +1 (K > 0) as |z| ! 1 in a certain sector of the complex z plane. In retrospect, Poincar´e’s definition seems a retrograde step, because although it encompasses convergent as well as divergent series in one theory, it fails to address the distinctive features of divergent series that ultimately lead to the correct interpretation that can also cure their divergence. It was George Stokes, in research inspired by physics nearly four decades before Poincar´e, who laid the foundations of modern asymptotics. He tackled the problem of approximating an integral devised by George Airy to describe waves near caustics, the most familiar example being the rainbow. This is what we now call the Airy function Ai(z), defined by the oscillatory integral 1 Ai(z) ⌘ 2⇡

Z

1 −1

exp



◆ i 3 t + izt dt, 3

the rainbow-crossing variable being Rez (Figure 1) and the light intensity being Ai2 (z). Stokes derived the asymptotic expansion representing the Airy function for z > 0, and showed that it is factorially divergent. His innovation was to truncate this series not at a fixed order N but at its smallest term (optimal truncation), corresponding to an order N (z) that increases with z. By studying the remainder left after optimal truncation, he showed that it is possible to achieve exponential accuracy (Figure 1) far beyond the power-law accuracy envisaged in Poincar´e’s defi-

10480-04-05.indd 426

nition. We will call such optimal truncation superasymptotics. Superasymptotics enabled Stokes to understand a much deeper phenomenon, one that is fundamental to the understanding of divergent series. In Ai(z), z > 0 corresponds to the dark side of the rainbow, where the function decays exponentially: physically, this represents an evanescent wave. On the bright side z < 0, the function oscillates trigonometrically, that is, as the sum of two complex exponential contributions, each representing a wave; the interference of these waves generates the ‘supernumerary rainbows’ (whose observation was one of the phenomena earlier adduced by Thomas Young in support of his view that light is a wave phenomenon). One of these complex exponentials is the continuation across z = 0 of the evanescent wave on the dark side. But where does the other originate? Stokes’s great discovery was that this second exponential appears during continuation of Ai(z) in the complex plane from positive to negative z, across what is now called a ‘Stokes line’, where the dark-side exponential reaches its maximum size. Alternatively stated, the small (subdominant) exponential appears when maximally hidden behind the large (dominant) one. For Ai(z) the Stokes line is arg z = 120◦ (Figure 2). Stokes thought that the least term in the asymptotic series representing the large exponential constitutes an irreducible vagueness in the description of Ai(z) in his superasymptotic scheme. By quantitative analysis of the size of this least term, Stokes concluded that only at maximal dominance could this obscure the small expo-

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[4.5]  427 3

Stokes line

120˚ 180˚

ImAi(z)

Imz

0

0

θ 0˚ Rez

-0.2

0.2

0.4

a b c d e

-0.4

0.6

ReAi(z) 0.8

Stokes jump

Figure 2: Complex plane of argument z (whose real part is the z of Figure 1) of Ai(z), showing Stokes line at arg z = 120◦ .

nential, which could then appear without inconsistency. As we will explain later, Stokes was wrong to claim that superasymptotics—optimal truncation—represents the best approximation that can be achieved within asymptotics. But his identification of the Stokes line with the birth of the small exponential (Figure 3) was correct. Moreover, he also appreciated that the concept was not restricted to Ai(z) but applies to a wide variety of functions arising from integrals, solutions of di↵erential equations and recurrence equations, etc., for which the associated asymptotic series are factorially divergent.

Figure 3: Approximations to Ai(z exp(i✓)) in the Argand plane, (Re(Ai), Im(Ai)) for z = 1.31 . . ., i.e. F = 4z 3/2 /3 = 2, plotted parametrically from ✓ = 0◦ (•) to ✓ = 180◦ (⌅). The curves are: (a) exact Ai; (b) lowest-order asymptotics (no correction terms); (c) optimal truncation without Stokes jump; (d) optimal truncation including Stokes jump; (e) optimal truncation including smoothed Stokes jump. For this value of F , the optimally truncated sum contains only two terms; on the scale shown, the Stokes jump would be invisible for larger F . Note that without the Stokes jump (curves b and c) the asymptotics must deviate from the exact function beyond the Stokes line at ✓ = 120◦ .

4 This Stokes phenomenon, connecting di↵erent exponentials representing the same function, is central to our current understanding of such divergent series, and is the feature that distinguishes them most sharply from convergent ones. In view of this seminal contribution, it is ironic that George (‘G H’) Hardy makes no mention of the Stokes phenomenon in his textbook ‘Divergent series’. Nor does he exempt Stokes from his devastating assessment of 19th century English mathematics: “there [has been] no first-rate subject, except music, in which England has occupied so consistently humiliating a position. And what have been the peculiar characteristics of such English mathematics . . . ? . . . for the most part, amateurism, ignorance, incompetence, and triviality.”

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The Modern Period

Late in the 19th century, Jean-Gaston Darboux showed that for a wide class of functions the high derivatives diverge factorially. This would become an important ingredient in later research, for the following reason. Asymptotic expansions (particularly those encountered in physics and applied mathematics) are often based on local approximations: the steepest-descent method for approximating integrals is based on local expansion about a saddle-point, the phase-integral method for solving di↵erential equations (e.g. the Wentzel-Kramers-Brillouin (WKB) approximation to Schr¨ odinger’s equation in quantum mechanics) is based on local expansions of the coefficients, etc. Therefore successive orders of approximation involve successive derivatives, and

22-05-17 10:26:04 AM

428   A Half-Century of Physical Asymptotics and other Diversions 4 the high orders, responsible for the divergence of the series, involve high derivatives. Another major late 19th century ingredient of ´ our modern understanding was Emile Borel’s development of a powerful summation method in which the factorials causing the high orders to diverge are tamed by replacing them by their integral representation. Often this enables the series to be summed ‘under the integral sign’. Underlying the method is the formal equality 1 X ar r=0

zr

=

1 X ar r! r=0

z r r!

=

Z

1 0

dt e−t

✓ ◆r 1 X ar t . r! z r=0

Reading this from right to left is instructive. Interchanging summation and integration shows why the series on the left diverges if the ar increase factorally (as in the cases we are considering): the integral is over a semi-infinite range, yet the sum in the integrand converges only for |t/z| < 1. Borel summation e↵ectively repairs an analytical transgression that may have caused the divergence of the series. The power of Borel summation is that, as was fully appreciated only later, it can be analytically continued across Stokes lines, where some other summation techniques fail (for example Pad´e approximants). Now we come to the central development in modern asymptotics. In a seminal and visionary advance, motivated initially by mathematical difficulties in evaluating some integrals occurring in solid-state physics and developed in a series of papers culminating in a book published in 1973, Robert Dingle synthesized earlier ideas into a comprehensive theory of factorially divergent asymptotic series. Dingle’s starting point was Euler’s insight that divergent series are obtained by a sequence of precisely specified mathematical operations on the integral or di↵erential equation defining the function being approximated, so the resulting series must represent the function exactly, albeit in coded form, which it is the task of asymptotics to decode. Next was the realization that Darboux’s expression of high derivatives in terms of factorials implies that the high orders of a wide class of asymptotic series diverge similarly. In turn this means that the terms beyond Stokes’s optimal truncation—representing the tails of such series beyond superasymptotics—can all be Borel-

10480-04-05.indd 428

summed in the same way. The next insight was Dingle’s most original contribution. Consider a function represented by several di↵erent formal asymptotic series (for example those corresponding to the two exponentials in Ai(z)), each representing the function di↵erently in sectors of the complex plane separated by Stokes lines. Since each series is a formally complete representation of the function, each must contain, coded into its high orders, information about all the other series. Thus Darboux’s factorials are simply the first terms of asymptotic expansions of each of the late terms of the original series. Dingle appreciated that the natural variables implied by Darboux’s theory are the di↵erences between the various exponents; usually these are proportional to the large asymptotic parameter. In the simplest case, where there are only two exponentials, there is one such variable, which Dingle called the singulant, denoted F . For the Airy function Ai(z), F = 4z 3/2 /3. We exhibit Dingle’s expression for the high orders for an integral with two saddle-points a and b, corresponding to exponentials exp(−Fa ) and exp(−Fb ) with Fab = Fb − Fa and series with (a) (b) terms Tr and Tr : for r  1, the terms of the a series are related to those of the b series by ✓ (r − 1)! Fab (b) (b) Tr(a) = K T T0 + r Fab (r − 1) 1 ◆ 2 Fab (b) T2 + . . . , + (r − 1)(r − 2) in which K is a constant. This shows that al(a) (a) (a) though the early terms T0 , T1 , T2 , . . . of an asymptotic series can rapidly get extremely complicated, the high orders display a miraculous functional simplicity. With Borel’s as the chosen summation method, Dingle’s late terms formula enabled the divergent tails of series to be summed in terms of certain terminant integrals, and then re-expanded to generate new asymptotic series, exponentially small compared with the starting series. He envisaged that “these terminant expansions can themselves be closed with new terminants; and so on, stage after stage.” Such resummations, beyond superasymptotics, were later called hyperasymptotics. Thus Dingle envisaged a universal technique

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[4.5]  429 5

5

The Postmodern Period

One of the first steps beyond superasymptotics into hyperasymptotics was an application of Dingle’s ideas to give a detailed description of the Stokes phenomenon. In 1988, one of us (Michael Berry) resummed the divergent tail of the dominant series of the expansion, near a Stokes line, of a wide class of functions including Ai(z), to give birth to the change in the subdominant exponential, occurring not suddenly as in previous accounts of the phenomenon, but smoothly and in a universal manner. In terms of Dingle’s singulant F , now defined as the di↵erence between the exponents of the dominant and subdominant exponentials, the Stokes line corresponds to the positive real axis in the complex F plane, asymp-

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1 F=10

multiplier

for repeated resummation of factorially divergent series, to obtain successively more accurate exponential improvements far beyond that achievable by Stokes’s optimal truncation of the original series. The meaning of universality is that although the early terms—the ones that get successively smaller—can be very di↵erent for different functions, the summation method for the tails is always the same, involving terminant integrals that are the same for a wide variety of functions. The method automatically incorporates the Stokes phenomenon. Although Dingle clearly envisaged the hyperasymptotic resummation scheme as described above, he applied it only to the first stage; this was sufficient to illustrate the high improvement in numerical accuracy as compared with optimal truncation. Like Stokes before him, Dingle presented his new ideas not in the ‘lemma, theorem, proof’ style familiar to mathematicians, but in the discursive manner of a theoretical physicist. Perhaps this is why it has taken several decades for the originality of his approach to be widely appreciated and accepted. Meanwhile his explicit relation, connecting the early and late terms of di↵erent asymptotic series representing the same function, was rediscovered independently by several people. ´ In particular, Jean Ecalle coined the term resurgence for the phenomenon, and in a sophisticated and comprehensive framework applied it to a very wide class of functions.

0.5 F=3 0

0

θ˚

60

Stokes line

120

180

Figure 4: Stokes multiplier (full curve) and errorfunction smoothing (dashed curve), for Ai(z exp(i✓)), for z = 1.717 . . . (i.e. F = 4z 3/2 /3 = 3) and z = 3.831 . . . (i.e. F = 4z 3/2 /3 = 10).

totics corresponds to ReF � 1, and the Stokes phenomenon corresponds to crossing the Stokes line, that is ImF passing through zero. The result of the resummation is that the change in the coefficient of the small exponential—the Stokes multiplier—is universal for all factorially divergent series, and proportional to ◆◆ ✓ ✓ 1 ImF . 1 + Erf p 2 2ReF In the limit ReF ! 1 this becomes the unit step. For ReF large but finite, the formula describes the smooth change in the multiplier (Figure 4), and makes precise the description given by Stokes in 1902 after thinking about divergent series for more than half a century: “. . . the inferior term enters as it were into a mist, is hidden for a little from view, and comes out with its coefficient changed. The range during which the inferior term remains in a mist decreases indefinitely as the [large parameter] increases indefinitely.” The smoothing shows that the ‘range’ referred to by Stokes, that is the e↵ective thickp ness of the Stokes line, is of order ReF . The full hyperasymptotic repeated resummation scheme envisaged by Dingle has been implemented in several ways. We (the present authors) investigated one-dimensional integrals with several saddle-points, each associated with an exponential and its corresponding asymptotic se-

22-05-17 10:26:04 AM

430   A Half-Century of Physical Asymptotics and other Diversions 6

0

12 terms

log10|term|

-5 -10

-15

zeroth stage

6 terms 3 terms 1st stage

2nd

2 terms 3rd

Figure 5: Terms in the first four stages in the hyperasymptotic approximation to Ai(4.326 . . .) = 4.496 . . . ⇥ 10−4 , i.e. F = 4z 3/2 /3 = 12, normalized so that the lowest approximation is unity. For the lowest approximation, i.e. no correction terms, the fractional error is " ⇡ 0.01; after stage 0 of hyperasymptotics, i.e. optimal trunction of the series (superasymptotics), " ⇡ 3.6 ⇥ 10−7 ; after stage 1, " ⇡ 1.3 ⇥ 10−11 ; after stage 2, " ⇡ 4.4 ⇥ 10−14 ; after stage 3, " ⇡ 6.1 ⇥ 10−15 . At each stage, the error is of the same order as the first neglected term.

ries. With each ‘hyperseries’ truncated at its least term, this incorporated all subdominant exponentials and all associated Stokes phenomena; and the accuracy obtained far exceeded superasymptotics (Figure 5) but was nevertheless limited. It was clear from the start that in many cases unlimited accuracy could, in principle, be achieved with hyperasymptotics, by truncating the hyperseries not at the smallest term but beyond it (although this introduces numerical stability issues associated with the cancellation of larger terms). This version of the hypersymptotic programme was carried out by Adri Olde Daalhuis, who reworked the whole theory, introducing mathematical rigor and e↵ective algorithms for computing Dingle’s terminant integrals and their multidimensional generalizations, and applied the theory to di↵erential equations with arbitrary finite numbers of transition points. There has been an explosion of further devel´ opments. Ecalle’s rigorous formal theory of resurgence has been developed in several ways, based on the Borel (e↵ectively inverse-Laplace) transform. This converts the factorially-divergent series into a convergent one, with radius of con-

10480-04-05.indd 430

vergence determined by singularities on a Riemann sheet. These singularities are responsible for the divergence of the original series, and for integrals discussed above, correspond to the adjacent saddle points. In the Borel plane, complex and microlocal analysis allows the resurgence linkages between asymptotic contributions to be uncovered and exact remainder terms to be established. Notable results include exponentially accurate representations of quantum eigenvalues (R. Balian & C. Bloch, A. Voros, F. Pham, E. Delabaere); this inspired the work of the current authors on quantum eigenvalue counting functions, linking the divergence of the series expansion of smoothed spectral functions to oscillatory corrections involving the classical periodic orbits. T. Kawai and Y. Takei in Kyoto have extended ‘formally exact’, exponentially accurate, WKB analysis to several areas, most notably to Painlev´e equations. They have also developed a theory of ‘virtual turning points’ and ‘new Stokes curves’. In the familiar WKB situation, with only two wave-like asymptotic contributions, Stokes lines emerge from classical turning points, and never cross. With three or more asymptotic contributions, Stokes lines can cross in the complex plane at points where the WKB solutions are not singular. Local analysis shows that an extra, active, ‘new Stokes line’ sprouts from one side only of this regular point; this can be shown to emerge from a distant virtual turning point, where, unexpectedly, the WKB solutions are not singular. This discovery has been explained by C.J. Howls, P. Langman and A.B. Olde Daalhuis in terms of the Riemann sheet structure of the Borel plane and linked hyperasymptotic expansions, and independently by S.J. Chapman and D.B. Mortimer in terms of matched asymptotics. Groups led by S.J. Chapman and J.R. King have developed and applied the work of M. Kruskal and H. Segur to a variety of nonlinear and PDE problems. This involves a local matched-asymptotic analysis near the distant Borel singularities that generate the factoriallydivergent terms in the expansion, to identify the form of late terms, thereby allowing for an optimal truncation and exponentially accurate approach. Applications include: selection problems in viscous fluids, gravity-capilliary solitary

22-05-17 10:26:04 AM

[4.5]  431 7 waves, oscillating shock solutions in KuramotoShivashinsky equations, elastic buckling, nonlinear instabilities in pattern formation, ship wave modelling and the seeking of reflectionless hull profiles. Using a similar approach, O. Costin and S. Tanveer have identified and quantified the effect of ‘daughter singularities’ not present in initial data of PDE problems, but which are generated at infinitesimally short times. In so doing, they have also found a formally exact Borel representation for small-time solutions of 3D NavierStokes equations, o↵ering a promising tool to explore the global existence problem. Other applications include quantum transitions, quantum spectra, the Riemann zeta function high on the critical line, and even the philosophy of representing physical theories describing phenomena at di↵erent scales by singular relations.

10.

Stokes, G. G., 1864, On the discontinuity of arbitrary constants which appear in divergent developments Trans. Camb. Phil. Soc. 10, 106-128.

Further Reading 1.

2.

3.

4.

5.

6.

7.

8.

9.

10480-04-05.indd 431

Batterman, R. W., 2002, The Devil in the Details: Asymptotic Reasoning in Explanation, Reduction and Emergence (University Press, Oxford). Berry, M. V., 1989, Uniform asymptotic smoothing of Stokes’s discontinuities Proc. Roy. Soc. Lond. A422, 7-21. Berry, M. V. & Howls, C. J., 1991, Hyperasymptotics for integrals with saddles Proc. Roy. Soc. Lond. A434, 657-675. Delabaere, E. & Pham, F., 1999, Resurgent methods in semi-classical mechanics Ann. Int. H. Poincar´e 71, 1-94. Digital Library of Mathematical Functions, 2010, NIST Handbook of Mathematical Functions (University Press, Cambridge) http://dlmf.nist.gov, chapters 9 and 36. Dingle, R. B., 1973, Asymptotic Expansions: their Derivation and Interpretation (Academic Press, New York and London). Howls, C. J., 1997, Hyperasymptotics for multidimensional integrals, exact remainder terms and the global connection problem Proc. R. Soc. Lond. A453, 2271–2294. Kruskal, M. D. & Segur, H., 1991, Asymptotics beyond all orders in a model of crystal growth Stud. App. Math. 85, 129-181. Olde Daalhuis, A. B., 1998, Hyperasymptotic solutions of higher order linear di↵erential equations with a singularity of rank one Proc. R. Soc. Lond. A454, 1-29.

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432   A Half-Century of Physical Asymptotics and other Diversions

The Riemann-Siegel expansion for the zeta function: high orders and remainders By

M.

v.

BERRY

H. H. Wills Physics Laboratory, Tyndall A venue, Bristol BSB 1 TL, UK

On the critical line s = ~ +it (t real), Riemann's zeta function can be calculated with high accuracy by the Riemann-Siegel expansion. This is derived here by elementary formal manipulations of the Dirichlet series. It is shown that the expansion is divergent, with the high orders r having the familiar 'factorial divided by power' dependence, decorated with an unfamiliar slowly varying multiplier function which is calculated explicitly. Terms of the series decrease until r = r* ~ 2nt and then increase. The form of the remainder when the expansion is truncated near r* is determined; it is of order exp( -nt), indicating that the critical line is a Stokes line for the Riemann-Siegel expansion. These conclusions are supported by computations of the first 50 coefficients in the expansion, and of the remainders as a function of truncation for several values of t.

1. Introduction

The Riemann-Siegel series, deciphered by Siegel in the 1920s from Riemann's manuscripts of the 1850s, is a very accurate and widely used method of calculating Riemann's function ((s) on the critical line (Edwards 1974). My aim here is to understand the structure of the series. By 'understanding' I mean three things; first, devising a transparent formalism for obtaining the terms in the expansion, enabling high orders to be calculated; second, establishing the dominant behaviour of the high orders; and third, estimating the dependence of the truncation error on the order of truncation when this is large, and thence the ultimate accuracy that can be obtained with the method. The latter is particularly interesting in view of the recent development of alternative methods for calculating ( to high accuracy (Berry & Keating 1992; Paris 1994). On the critical lines= ~+it (t real), ((s) is complex. However, it follows from the functional equation for ((s) that the function Z(t) = exp(iO(t))((~ +it),

(1)

where (2) B(t) = argf(~ +~it)- ~tlogn is real for real t (and also even). The Riemann-Siegel series is an expansion of Z(t) for large t, whose starting-point is the separation of this function into a 'main sum' plus a remainder. It is convenient first to define a= v(t/2n),

N

Proc. R. Soc. Lond. A (1995) 450, 439-462 Printed in Great Britain

=Int(a),

a-N= H1- z).

© 439

(3)

1995 The Royal Society 'lEX Paper

Reprinted from Proceedings of the Royal Society A, Volume 450, (1995).

The Royal Society is collaborating with JSTOR to digitize, preserve, and extend access to Proceedings: Mathematical and Physical Sciences. ® www.jstor.org 10480-04-06.indd 432

22-05-17 10:41:02 AM

[4.6]  433

M. V. Berry

440 Then the separation is N

Z(t) = 2

L

cos(8(t~ 1~2tlogn) + R(t).

(4)

n=1

The remainder R( t) can be written as a formal power series in 1 j a, namely

R(t)

= ( -1)N+1

a1/2

~ Cr(z). ~

(5)

ar

r=O

This is the Riemann-Siegel expansion, whose coefficients Cr(z) will be our principal concern. In correcting the main sum, the expansion removes the discontinuities where the upper limit jumps, that is at t = 2rr N 2 (N integer), and interpolates between these points: as t increases from 2rr N 2 to 2rr(N + 1)2, z decreases from 1 to -1, with z = 0 corresponding to points 2rr (N + ~) 2. Riemann's technique for obtaining the coefficients Cr(z) (explained for example by Edwards (1974) and Titchmarsh (1986)) is an intricate application of the saddlepoint method to an integral representation of Z(t), with the subtlety that the saddle lies on a line containing a string of poles. By contrast, the formalism I use in § 2 is wholly elementary and based on the Dirichlet series ((s) = 2::~= 1 n-s (Res > 1). Since this series does not converge on the critical line, the method is formal and so cannot be regarded as a substitute for the customary derivation which gives the same results. However, the method has the advantages of exposing the essential algebra of the expansion, in a way that enables new results to be found later, and of generating a series for Z (t) that is automatically real in spite of not explicitly using the functional equation. The coefficient Cr(z) involves derivatives (up to the 3rth) of the function cos(~rr(z 2 + ~))

( ) Fz=-~---'----'=..c_ cos( rrz)

(6)

·

In § 3 the elementary formalism is used to calculate high orders of the expansion, that is Cr(z) for larger. The main result is r(~r)

(7)

Cr(z) = (rry'2)r+ 1 f(r, z), where

f is bounded and given by the rapidly convergent series 00

f(r, z) ~

L (-1)m(m-1)/2 exp{ -(m + ~)2} m=O

x {sin{(2m+ 1)y'r}cos{(m+ ~)rrz} cos{ (2m+ 1)y'r} sin{ (m + ~ )rrz}

(r even) } (r odd)

when r

»

1. (8)

These formulae show that the Riemann-Siegel expansion (5) diverges, with the divergence dominated by the 'factorial divided by a power' typical of asymptotic series. For large t the terms in (5) get smaller before they increase, with the minimum near r = r* = Int(2rrt). This familiar divergence is multiplied by the factor f(r, z), whose oscillations are slow in comparison with the growth off(~ z). Therefore the expansion falls in the class of 'decorated factorial series' now beginning to be encountered in asymptotics; another example is saddle-point expansions whose divergence is domProc. R. Soc. Land. A (1995)

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The Riemann-Siegel series for the zeta function

441

inated by coalescing distant saddles (Berry & Howls 1993). In the Riemann-Siegel case, however, the decoration f has an unfamiliar form. These results are used in § 4 to estimate the remainder when the Riemann-Siegel series is truncated at some large order R. The remainder is SR(t), where R(t)

= (-1)N+l.~ Cr(z) + SR(t). al/2

L......-

ar

(9)

r=O

I give two heuristic arguments leading to the expectation that SR(t) is of order exp( -1rt). Then a direct calculation, using a variant of Borel summation, gives t ~ SR ()

( 2 1) 1 (') (-1)Ne-7rt{[. -1erf HT + 3 J(1rR) 4a- + 2 e al/ 2 ) 2 +

,.2][ f (R+2, z )+ f(R+1, z) ]

2 J(~R)e,. 2 [f(R+2,z)- f(R+1,z)]},

(10)

(11) where a-= (~R- 1rt)j JR. Optimal truncation, that is truncation of the Riemann-Siegel series near R = r* (where a-~ 0), thus yields an error of the expected order exp( -1rt). This shows that the Riemann-Siegel expansion is less accurate than that of Berry & Keating (1992), whose error is bounded by exp( -t4 13 ) (now we conjecture that this can be reduced to exp( -t2 )). The arguments leading to the asymptotic formulae (7) and (10) are formal and non-rigorous, so it is desirable to test them by comparison with direct calculations of the Cr(z) and the remainders SR(t). This requires high derivatives of F(z) (equation (6)), which are difficult to evaluate. In §5 methods are given for evaluating these derivatives exactly for the special cases z = 0, z = ±~ and z = ±1 (§5a), and asymptotically for any z (§5b). In § 6 a numerical comparisons are given between the first 50 'experimental' Riemann-Siegel coefficients Cr(z) and the 'theoretical' prediction (7) and (8) for a range of z values. The theory works very well, with the decoration f(r, z) reproducing fine details of the coefficients, even for r as small as 5. In § 6.2 comparisons are given between the 'experimental' and 'theoretical' remainders SR(t) as functions of truncation R, for several values oft. The theoretical formula (10) passes this highly discriminating test very well. It shows that the Riemann-Siegel formula is capable of astonishing accuracy, even for t < 27f, when there are no terms in the main sum (i.e. N = 0 in (4)). For example, when t = 7f the Riemann-Siegel series (5) starts to diverge when r ~ 20 and can generate Z(t) to one part in 105 . All computations were carried out using MATHEMATICA (Wolfram 1991). In previous numerical applications (e.g. computations of the zeros by Brent (1979), van de Lune et al. (1986), Odlyzko (1987, 1990), Odlyzko & Schonhage (1988)), only a few terms of the Riemann-Siegel series were needed, and the questions addressed here, of the asymptotics for large r, did not arise. The most extensive theoretical study of the Riemann-Siegel formula was by Gabcke (1979). He gave explicit formulae for the Cr(z) for r ~ 12, and derived strict (and realistic) error bounds for the SR(t) for R ~ 10 (e.g. JS10 (t)l < 25966t- 23 14 ). He speculated that the series diverges, and proved this for the special case of the coefficients C 2 m(1), using a direct method (Appendix B) that sidesteps the complications of the general formalism. We explore this further in Appendix D by determining the explicit form of these partieProc. R. Soc. Land. A (1995)

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442

ular coefficients for 2m large (using a result about asymptotic series established in Appendix C). As it turns out, this special case is misleading, in the sense that the divergence of the C2m(1) is weaker than in the general case and is not captured by the leading-order theory (indeed (8) predicts zero for C2 m(1)).

2. Derivation of the series In the function defined by (1) we can formally substitute the Dirichlet series for

(( s), and obtain

)) ~ exp( -it log n) Z( t ) = exp ('()( 1 t ~ nl/ 2 .

(12)

n=l

The sum does not converge and its terms are not real. However, we note that the main sum in (4) comprises the first N terms of the Dirichlet series, together with their complex conjugates. (These complex conjugate terms can be obtained (Berry 1986; Titchmarsh 1986) from the resummation of the divergent tail of (12).) Thus the remainder in (4) can be written as

R() t

=

~ exp{i[()(t)- t logn]} _ ~ exp{ -i[()(t)- t logn]} ~ nl/2 ~ nl/2 · n=N+l

(13)

n=l

The Riemann-Siegel expansion (5) will be obtained by expanding the terms in the two sums about the limits N +1 and N. This ingenious procedure, devised by Keating (1993) to calculate the lowest coefficient C0 (z), will be the basis of all that follows. To obtain the expansion, it is necessary to make use of the asymptotic expansion of e(t). Gabcke (1979) shows from (2) that

e(t) = ~t(log(tj1r)- 1)- ~7f

+ x(t),

(14)

where x(t) has the formal expansion 00

x(t) =

b

I: t2mm-l,

where

b

= (22m-l- 1)IB2ml

m

m=l

(15)

22 m+lm(2m- 1)'

in which B 2 m are the Bernoulli numbers. For the first sum in (13), we define the new variable K by n =N

+ 1 +K = a(1 +Q(K,z)ja),

(16)

0 :( K :( oo,

where a and z are defined in (3) and Q(K,z)

=~(1 + z) +K.

(17)

The analogous definition for the second sum is n = N- K = a(1- Q(K, -z)ja),

0 :( K :( N- 1.

(18)

Now the phase in the first sum in (13) is expanded using (14) and (16). A short calculation gives [()(t)- tlogn](mod27r)

= (N + 1 + K)1r + ~7f + x(27ra 2)-

oo

~1rz 2

1 (

+ 21rzQ(K, z) + 2Jra 2 ~ m

-

Q(K a' z

))m

(19)

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The Riemann-Siegel series for the zeta function

443

With these substitutions, the first sum in (13) becomes

(-1)N+l al/2 T(a, z),

(20)

where T(a, z)

= exp{i1r(~X

~z 2 )

+ ix(27ra 2)}

~ ( _ )Kexp{i1rQ(K, z)(2z + 2a- Q(K, z))} . (1 + Q(K, z)a)1/2+2,..ia2 1

£-:o

(21)

The second sum in (13) is given by a similar expression with the upper limit replaced by K = N- 1. This upper limit plays no part in the Riemann-Siegel expansion, and will henceforth be replaced by K = oo (this amounts to including terms with negative n in the second sum in (13), a point to which we will return). Thus we find

R(t) =

(-1)N+l al/ 2 [T(a, z)

+T

*

(22)

(-a, -z)].

To generate the Riemann-Siegel expansion (5), it is necessary to expand T in powers of 1/a, i.e. T(a, z) =

~ Tr(z).

(23)

ar

L

r=O

Then the Riemann-Siegel coefficients are (24) We shall find that Tr (- z) = (-1 YTr (z); thus the Cr (z) are real, as they must be, and satisfy the symmetry relation Cr( -z)

= (-1tCr(z).

(25)

The lowest coefficient is obtained directly from (21) (Keating 1993) as

C0 (z) = 2Re{ exp{i1r(~-

~z2 )} "%; (-1)K exp{2i7rQ(K,z)z}}

= cosH1r(z 2 + ~)}/ cos(1rz)

= F(z).

(26)

To get the general term in the expansion, it is convenient to use the operator notation

a

(27) 8z to bring (21) to a symbolic form where the K sum is the same as that in (26), namely D=-

T(a, z)

+ iX(27ra 2 )} K exp{aD + iD 2 /47r} ~ (1 + D/27fia)1/2+27ria2 £-:o (-1)

= exp{i1r(~x

~z 2 )

.

exp{211fQz}.

(28)

Thus T(a, z) = exp{i1r(~ X

+ ~z 2 )}

2 2 ( 29 ) ( . 2) [{ exp{ix(27ra ) +aD+ iD /47f}} exp(i1rz()] 2cos(7rz) (-+z. (1 + D/27fia)1/2+2,..ia2 exp -17fZ

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M. V. Berry

444

The operator in braces has an expansion in 1/a and D. It is easier to find this if the function is real, which we achieve with new variables x and y defined by

a= (1/2y)J(i/27r),

D

= ~xJ(27r/i).

(30)

Then 2 2 ) { exp{ix(27ra ) +aD+ iD /47r}} = ( (1 + D/27ria)1/2+27ria2 - g x, y 1 { ( i ) x x2 } = (1- xy)l/2-l/4y2 exp ix 4y2 + 4y + 8

= exp { - ~ ( -1)mbm(4y2)2m-l + ~ (xy)m 00

2

00

(

1 2m4(mx + 2) )

}

.

(31)

This has an expansion in powers of x and y, with the term in yr multiplied by x 3 r, x 3 r - 2 , etc.: oo Int(3r /2) g(x, y) = 9rmX3r-2myr. (32)

L L r=O

m=O

Obviously, g00 = 1. In Appendix A it is shown that the coefficients satisfy the recurrence relation,

9r+l,m

=

ki(r,m)

1 2 (r + 1)

L

1

+

'r

9r-k,m-l-k-

k=O

1 4 (r + 1)

kz(r,m)

L

k=O

(k + 1) (k + 3 )9r-k m-k

pi(m)

+ 1

L (-1)P24P+ 2(4p +

2)bp+l

9r-4p-l,m-3(2p+l)

1

(33)

p=O

where the limits of the sums are m-1 k( ) 1 r,m = { 3r-2m+2 k (r m) - { m 2

'

-

3r - 2m

(m~r+1),

(m~r+1),

(m ~ T), (m ~ r),

(34)

P1(m) = Int(~m- ~). With the expansion (32), after replacing x and y by D and a from (30), we find, for the coefficient of 1/ar in (29),

Tr(z)

=

1 Int(3r /2) exp{i1r(~- ~z 2 )}( -1r 7rZr 9rmi-m(~1r)m

L

m=O

x [D3r-2m exp(i7rz()] . 2cos(1rz) (->z

(35)

To evaluate the derivatives, we define

Cb

7 8 9 10 11

12 13 14

407 81920 26405 33030144 21543 701 326 998 425 600 2320279 678 218 956 800 413 542 091 3 296 144 130 048 000 8 283 026179 2 373 223 773 634 560 000 733972733 9 492-895 094 538 240.()00 965416409 683 488 446 806 753 280 000

5 1024 427 65536 3781 2064384 26988341 118"908 518 400 13 891121 850 195 906 560 135 149 833 261 "171 399 494 762 496·000 7 804 440109 280 4 71 900 520 448 000 4636378387 6 094 204 258 222 080 000

"""

I=)

41 32 768 2603 393 216 32851 9437184 31587 481 47 563 407 360 1681009907 25 113 479 086 080 2 927 256 839 861 685 597 979 049 984 000 1890 353 754 197 9 872 610 898 319 769 600

'? ;:s (">

2603 524 288 5377 983040 7040165 4227 858432 71350619 298 969 989120 3 706 405 599 341 182 826 127 7 46 662 400

(b) 2603 1048 576 351937 50 331648 15136-141 4227858432 227026 787 304 405 807 104

2643 4194304 88645 12 582 912 1760589 268435456

88645 16 777 216

""" ""· c ;:s

..,.. ..,.. -'1

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448

M. V. Berry

a plane

Figure 1. Contours in the a plane for the integral (46).

This integral will be evaluated by the method of steepest descent. The main contribution comes from the part of the cosh function with the negative exponent. The corresponding exponent of the integrand has a stationary point between u = 0 and u = 1. The value of the exponent at this point depends on Q which is proportional to K. Since it will be necessary to sum over K, the most effective procedure is to determine the stationary point of the whole exponent in (48) with respect to both u and Q. This exponent is

E(u, Q; r) = r log(Qu)- 2nQ 2 [nu 2 + i( -~ + u + u 2 log(u- 1

-

1))].

(49)

The stationary point (denoted by a superscript 's') is at U8

= ~'

Qs

= Jr/n.

(50)

(Note that at this point t = 2na 2 = r/2n, so that x(2na 2) '""1/r, further justifying neglect of this quantity in (46).) The stationary values of E and its second derivatives (denoted by subscripts) are

Es = ~rlog(~r)- ~r- rlog(ny'2), } 2 E~u = -8r(l- 2in), E~Q = -4ny'r, E'QQ = -2n .

(5 l)

Thus we can write

E(u, Q; r)

=

E 8 + ~E~u(u- ~? +E~Q(u- ~)(Q- Jr/n) + ~E'QQ(Q- Jr/n? + .... (52)

Evaluating the

'U

exp

integral, and noting that

l (l )r/2 (-l ) ~ Jr f(l ) (E s) -_ (nJ2Y 2r exp 2r ~ (ny'2)r2y'n 2r

(53)

leads, on reinstating K, to

UKr(z)

~

r);; exp(~in) 7r

r

(-l)K~r

4nv'l- 2m-l

exp{- 2

7r

:7 .(K+~(l+z)+1

Jrj}.(54) 7r

This has a maximum near K = Jr /n, so for large r the lower limit K = 0 of the sum in (45) can be replaced by -oo with an error that is exponentially small. Then the sum Tr(z) is a theta-function series, which by the Poisson summation formula Proc. R. Soc. Lond. A (1995)

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The Riemann-Siegel series for the zeta function

449

can be transformed into another theta-function series that converges rapidly, namely

T (z) ~ r

00 (-1)T(2r) 2 i "'"' (-1)m(m-1)/2 exp{-(m + 2)2} 4(7rJ2Y+1 ~ 2

m=-CXJ

x exp{i[(m + ~ )1rz- (2m+ 1)Jr]}.

(55)

Because of the symmetry about m = - ~, the terms with negative and positive m can be combined, thus giving Tr as the real expression:

T (z) r

~ ( -1tr(~r) ~

2(7rj2)r+1 ~

(-1)m(m-1)/2 exp{-(m + 2)2} 2

x sin{(2m + 1)Jr- (m + ~)1rz}.

(56)

Finally, adding Tr( -z) according to (24) gives high-order Riemann-Siegel coefficients as (57) where 00

m=O

x {sin{(2m+ 1)Jr}cos{(m+ ~)1rz} cos{ (2m+ 1)Jr} sin{(m + ~ )1rz}

(r even), } (Todd),

when

T

» 1 (58)

claimed in § 1. Reinstating a, we see that the terms Cr/ ar in the Riemann-Siegel series (5) behave like as

r(~T)

(59)

(7rt)r/2'

For fixed large t, the terms decrease rapidly and then increase, in the manner familiar in an asymptotic series (Dingle 1973). The least term is near r* = 21ft. The particular coefficients C 2m(1) can be determined solely from the requirement that the discontinuities in the main sum in (4) are removed by the Riemann-Siegel expansion (5), leaving Z(t) continuous as it must be. This argument, by Gabcke (1979), is elaborated in Appendix B, and extended in Appendix D to determine the high-order behaviour of these coefficients. The result is

C 2m (1)

~ r(m) {-cos(~7r)/48m ~~~-X (27r )2m

sin( ~7r )27r

(m even) } (m odd)

form» 1.

(60)

The powers in the denominator contain the factor 2, rather than }2 as in the general case (57). Therefore these special coefficients are smaller by a factor 2-m than the even coefficients for z =f ±1, consistent with (58) predicting zero for the high-order behaviour in this case. Proc. R. Soc. Lond. A (1995)

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450

4. Remainders We seek the form of the remainders SR(t) of the Riemann-Siegel expansion, truncated at terms r = R close to optimal, that is close to the least term T ~ T*. The remainders are defined by (9). Before proceeding to a direct calculation, I give two heuristic arguments suggesting that they will be of order exp( -nt). The arguments are based on the observation that the divergence of an asymptotic series often originates in terms omitted in its derivation, so the size of these terms limits the accuracy that can be obtained with the expansion. First, recall that in deriving the Riemann-Siegel expansion we included the terms with negative n in the second sum in (13) (see the remarks following equation (21)). These have the form exp{ it log( -n)} = exp( -nt) exp(it log n)

(61)

and indeed involve the claimed exponential. Second, the formal expansion (15) for the quantity x(t) defined in (14) fails to capture the Stokes phenomenon for the gamma function (Berry 1991) that appears in the definition (2) of B(t). Using the reflection and duplication formulae for the gamma function, Gabcke (1979) showed that B(t) can be written in terms of r(it) and r(2it) through the identity

B(t)

= ~t(log(t/2n)-

1)- ~n + ~ Im[f'L(2it)- !'L(it)] +~arctan{ exp( -nt)},

(62)

where f'L(z) is defined by

=J2;zz-2 exp{ -z + f'L(Z)}. 1

r(z)

(63)

The formal expansion (15), which contributes to the Riemann-Siegel expansion, is obtained by applying Stirling's series to !'L(it) and f'L(2it) in (62). The term involving exp( -nt) in (62) is beyond all orders of the expansion and so does not contribute to the calculation of its terms, although it is of course part of the function Z(t) being approximated. exp( -nt) is the first in a string of small exponentials in the asymptotics of ( ( ~ + it); elsewhere I will pursue the idea that these correspond to complex periodic orbits ('instantons') in the conjectured associated dynamics. With this expectation that the remainders will be of order exp( -nt), we now proceed to a direct calculation. SR(t) can be written formally as the divergent tail of the series (5). If R is large, the asymptotic formulae (57) and (58) can be substituted for the terms, giving (cf. (59))

SR(t) ~

oo r(.!T) 2) ffa """'-( f(r, z). 7r 2a ~ nt r 12

(-1)N+l

(64)

R+1

Because this is divergent, it must be interpreted. This will be achieved using a variant of Borel summation (Dingle 1973). If the terms with r even and Todd are separated, the functions j(T, z) are slowly varying and can be replaced by their values at the lower limit of the sums. Thus

S (t) ~ ( -1)N+l { j(R + 1, z) ~ rO(R + 1) + m) R nffa (nt)(R+l)/2 ~ (nt)m f(R+2,z) ~ r(~R+1+m)} '~ (nt)m .

+ (nt)R/2+1

(65)

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451

Replacing the gamma functions by their integral representations, and then evaluating the sums, gives, after an elementary change of variable, the convergent representation

SR(t)

~

( 1)N+l

y'2a {f(R + 1, z) I(R- 1, 1rt)

1r 2a

where

t

+ f(R + 2, z) I(R, 1rt)},

(66)

exp( -wu )uRI 2 du----'----------'--(67) 0 1- u The principal value is chosen to ensure that SR(t) is real for real t. We seek to evaluate this when R is large and close to the least term 21rt = 2w. Then the integrand has a saddle close to the pole at u = 1, and it is natural to expand about u = 1. To third order, we obtain

I(R, w) =

I(R, w) = -e-w

=

-e

-w

oo

f

oods - exp{ -1Rs 2 -oo S

foo-oo-:;dv exp{ -v

where

a(R, w)

2

+ (~R- w)s}(1 + ~Rs 3 + ... )

4 3 + 2av }(1 + 3 y'R v + ... ),

=(~R- w)jy'R.

(68)

(69)

The first integral in (68) can be transformed into an error function

f

oo

-oo

dv e-v 2 sinh(2av)

v

== 2y'7r

r dae0"

Jo

2

=

-iJrerf(ia)

(70)

(which of course is real) and the second integral is elementary. Incorporating the difference between I(R, w) and I(R-1, w) in (66) into the term of order 1/ y' R, we finally obtain

S (t) R

~

( - 1)N exp(-1rt) {( -i erf(ia)

y'2a

x (f(R + 1, z)

+ exp(a 2 ) (4a 2 + l )) 2 3 v'Ifff

+ f(R + 2, z)) + exj{] (f(R + 2, z)2 R1r

f(R + 1, z))}. (71)

This is the result (10) claimed in § 1. It indeed has the expected leading-order dependence exp( -1rt). Moreover it is easily confirmed from (57) that SR(t) is of the same order as the first term omitted in the truncated Riemann-Siegel series, consistent with Gabcke's rigorous bounds for the first few terms, and asymptotics folklore. Finally, we consider briefly the case where t is complex, that is when the zeta function is being calculated off the critical line. For optimal truncation, that is R = Int(27r Ret), the remainder (71) consists, to leading order, of exp( -1rt) times a mutiplier involving Im 1rt ) ( Im 1rt ) -ierf ( VR ~-ierf v2Re7rt.

(72)

This is precisely the universal multiplier describing the smooth switching of the sign of a subdominant exponential across a Stokes line (Berry 1989). Here the subdominant exponential is exp( -1rt) (the dominant exponential being unity), and the Stokes line is the critical line t real. An interesting fact is that the 'half-width' of the Stokes Proc. R. Soc. Lond. A (1995)

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M. V. Berry

452

line, that is the range over which the argument of the error function increases by unity, is Im t rv y'(2t/'rr), which is larger that the half-width Im t = ~ of the critical strip.

5. Calculation of derivatives contributing to the coefficients According to (41), the coefficient Cr(z) involves the nth derivatives p(n)(z) of the function F(z) (defined by (6)), for n ::S: 3r. These derivatives are nonsingular functions of z, because the zeros of the numerator and denominator cancel. Direct evaluation is very inefficient, because it gives each high p(nl(z) in terms of powerful singularities that must cancel when summed. In this section I describe two effective methods for evaluating the derivatives, as alternatives, applicable for large r, to the Taylor expansions commonly used for small r (Edwards 1974).

(a) Special values of z For z = 0, Leibniz's formula for the derivative of a product gives, for the even derivatives (the odd ones being zero) F( 2ml(o) =(2m)! Re exp(~in) x

~ 1 ( )(2s) ( ( 1· 2))(2m~2s) ~ ( )'( )' sec nz z=O exp 211rz z=O . 2s. 2m _ 2s. s=O

(73)

Use of

L (-1) oo

secnz =

n=O

n

( JfZ )2n , E2n-(-)2n.1

(74)

where E 2 n are the Euler numbers, leads to p(2m)(O) = (2m)1(ln)m ~ (-2n)s E cosgn(m- s + 28 · 2 ~ (2s)!(m- s)!

i)}

(75) ·

For z = 1, we note that F(1 + () = sin gn( ( 2 +

i)} + cosgn( ( 2 + i)} tan n(.

(76)

The first (second) term is even (odd) in(, and so gives the even (odd) derivatives. Use of tan n( =

~ (-1)n~l B2n(n()2n~l22n~~:)~ 1)'

(77)

where B 2 n are the Bernoulli numbers, leads to p(2m)(1) = n~ 1 f 2 (m- ~)!(2n)m sinHn(m + i)}, F( 2m+l)(1) = 4n(2m + 1)!(~n)m m (2 28 +2 - 1) cos0n(m- s + 8 x~(-8n)B2s+2 ( 2s+ 2 )!(m-s)! For z

=

} (78)

i)} .

~, we note that

F(~ + ()

=

~ cos(~n( 2 ) sec(~n() + ~ sin(~n( 2 ) cosec(~n().

(79)

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The Riemann-Siegel series for the zeta function

453

+saddles

u

Figure 2. Contours in the u plane for the integral (82).

Again, the first (second) term is even (odd) in(, and so gives the even (odd) derivatives. Use of (74) and oo

cosec01r() = 2 ~( -1)n+l B2n01r() 2n-l

(22n-1 _ 1) (2n)!

(80)

leads to

m

p(4m+3l(l)=(-l)m(4m+3)!(l7r)2m+2"' ~ 2 2

B

( 1)s(17r)2s(24s+l 1) 4s+22 . (4s+2)!(2m-2s+1)!

(81) (b) Asyrnptotics of high derivatives A familiar dogma of asymptotics is the invocation of Darboux's theorem (Dingle 1973) to infer that high derivatives of a function at a regular point are determined by the nearest singularity. This fails for F(z), which has no finite singularities. Therefore it is necessary to use a different method. From (6), Cauchy's theorem gives F

(n)

_ n! 1. (z)- -21f Re exp(- 8 m)

f

(U

du exp( ~i1ru 2 ) ) +l ( ) , - Z n COS 1fU

(82)

where the contour is a small loop surrounding u = z. The poles at the zeros of the cosine do not contribute: they are cancelled when the real part is taken. Instead, the integral is dominated by saddles. Their contributions can be extracted by expanding the contour into lines c+ and c_ connecting infinity in the first and third quadrants (figure 2), where the exponential converges. Saddles lie in the second (fourth) quadrants on C+ (C_), where the negative (positive) Proc. R. Soc. Land. A (1995)

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M. V. Berry

454

exponential in the cosine dominates. Therefore we can write 1

00

cos(JTu) = 2~(-1)Pexp{±i7ru(2p+ 1)} (upper sign: on c+, in upper half-plane; lower sign: on express the derivatives as

c_,

(83)

in lower half-plane) and

(84)

Here

(85)

where ¢!P(u, z) = (n + 1) log(u- z)- ~i1Tu 2 =t= i1Tu(2p + 1). Each integral is dominated by a single saddle, at

(86)

u = u!P(z)H=re-i7r/ 4 -j[(4/7r)(n + 1) + i(z ± (2p + 1)) 2 ]+z =r (2p + 1)}.

(87)

Then the saddle-point method, including the first correction term, gives the approximations (88)

in which all quantities are evaluated at u'f:P. Substitution into (84) gives the derivatives. For large n, the contributions from higher pin (84) and from the saddle-point correction (in square brackets in (88)) diminish rapidly, making this an effective method for computing the high derivatives.

6. Numerical tests of the formulae (a) Riemann-Siegel coefficients Here we compare the 'experimental' Cr(z) computed from the exact formulae (41) and (42), using coefficients grm obtained from the recurrence relation (33), with the 'theory' represented by the asymptotic formulae (57) and (58). The coefficients were computed for 0 :::;; r :::;; 50. For the 'experiment' it is necessary to evaluate the derivatives p(n)(z) upton= 150. This was done using the saddle-point approximations of§ 5 b with 0 :::;; p :::;; 3. It is convenient to present the data by factoring out the dominant dependence in (57). Therefore the 'experimental' graphs show f(r, z) defined by (57), that is

f(r, z)

=(7r-j2y+l e ) Cr(z) r 2r

(89)

and the 'theoretical' curves show the large-r approximation (58). Figures 3 and 4 are synoptic comparisons for a range of z values between 0 and 1, for r even and r odd. Evidently the theory works well, even for r as small as 5. Figure 5 shows comparisons for some individual z values. It is necessary to check the unlikely possibility that the good agreement in figures Proc. R. Soc. Land. A (1995)

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The Riemann-Siegel series for the zeta function

455

(a)

0.8 0.6 0.4 0.2

f

-0.2 -0.4 -0.6 -0.8

-0.2 -0.4 -0.6 -0.8

r

Figure 3. Decoration function f(r, z) (defined by (90)) multiplying factorials in the Riemann-Siegel coefficients, for even r. The curves show z = 0 [0.1] 1. (a) 'Experimental' coefficients (41) and (42) with derivatives approximated by the saddle-point method of §5b; (b) 'theory' (58).

(a) 0.8 0.6 0.4 0.2

f r

Figure 4. As figure 3, with r odd.

(b)

0.6 0.4

-0.2 -0.4 -0.6

20

30

40

50

r

-0.6

(c)

(d)

0.75 0.5 • 0.25

0.6 0.4 0.2

-0.25 -0.5 -0.75

-0.2 -0.4 -0.6

f

...

Figure 5. As figure 3, for (a) z = 0.5, even r; (b) z = 0.5, odd r; (c) z odd r. Dots, 'experiment'; full lines 'theory'.

... ... 30

= 0,

40

50

even r; (d) z

=

r

1,

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M. V. Berry

(a)

(b)

0.03 0.025 0.02 6.f 0.015 0.01 0.005

0.001

10

20

30

40

50

-0.001 -0.002 -0.003 -0.004 -0.005

(d)

(c)

0.04 0.004 0.003 0.002 0.001

0.03

6.f 0.02 0.01

-0.001 10

20

30

40

40

50

r

50

Figure 6. Test of saddle-point approximation of §5b with 0::;:; p::;:; 3, for derivatives of F(z), with l:..f(r,z) = fexaet(r,z)- fsadd!e(r,z), for (a) z = 0.5, even r; (b) z = 0.5, odd r; (c) z = 0, even r; (d) z = 1, odd r.

(a)

(b)

40

60

80

100 0.03 0.02 ~

0.01

~

\...)~ -0.01 -5

r

-0.02

-0.03

Figure 7. Coefficients Cr(1) against r for r even. (a) log 10 (error) in the high-order approximation (60), where error= (approximate C/exact C) -1; (b) coefficients calculated exactly (dots), and via saddle-point approximation for the derivatives (full line).

3-5 is a fortuitous consequence of the saddle-point approximation for the F derivatives. That this is not the case is clear from figure 6, which shows the difference between the coefficients computed with the exact and approximate derivatives, for the particular cases (§ 5 a) where the derivatives can be computed exactly. The errors never exceed 4% and would barely be perceptible in figures 3-5. It is interesting to note that the errors are smaller when r has the form 4m than for r = 4m + 2, and much smaller still when r is odd. Figure 7 concerns the particular coefficients C 2 m(l), which can easily be computed exactly (Appendix B). Figure 7a confirms that the formula (60) for the high orders is better for larger r, and also shows that the relative error is much smaller for r = 4m + 2 than for r = 4m. Figure 7b shows that for these coefficients (which are Pmc. R. Soc. Lond. A (1995)

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The Riemann-Siegel series for the zeta function

(a)

457

(b) 0.5 20

,.,,-.,

-0.005

0 ......

SR -0.01

X

. Jf

-0.015 -0.02 (c)

4 ,-.,

30 R -0.5

.. ..

-1.0

-1.5

(d)

2

0 ""......

X

Jf

-2 -4

42

44

46

48

R

Figure 8. Riemann-Siegel remainders SR(t), computed exactly from (9) (dots), and from the theory (71) (full lines), for the following values of t (table 2): (a) t = ~7r (least term near R = 10); (b) t = ~7r (least term near R = 22); (c) t = 27r (least term near R = 40); (d) t = :?j1r (least term near R = 62).

exponentially smaller than in the general case) large errors result from using the saddle-point approximation to calculate the derivatives.

(b) Exact and approximate remainders To test the theory (71) it is necessary to calculate the remainders SR(t) defined by (9), by subtracting from Z(t) the first R+ 1 terms of the Riemann-Siegel expansion. As explained by Edwards (1974), Z(t) can be computed with arbitrary accuracy, albeit not very efficiently, by a method based on the Euler-Maclaurin sum formula. When calculating the remainders, the Riemann-Siegel coefficients must be evaluated with an accuracy exp( -1rt). This cannot be achieved by calculating the F derivatives with the saddle-point approximation of§ 5 b. Therefore I restricted the tests to z = 0, z = ~ and z = 1, for which the derivatives can be calculated exactly as explained in §5a. Even so, the comparison was necessarily restricted to low values oft; otherwise, the fact that the optimal truncation is near R = 21rt would have required the evaluation of very high derivatives. For these, the methods of§ 5 a, although exact, are inefficient and require very high numerical accuracy. For example, R = 50 requires the Euler and Bernoulli numbers up to order 150, and E 150 is an integer of order 10233 and B 150 is a ratio of integers with numerator of order 10 149 • Table 2 shows the values of t for which the theory of the remainders was tested. Figure 8 shows the 'experimental' and 'theoretical' remainders as functions of truncation R. Evidently the theory (71) works well for a large range of near-optimal truncations (including, it seems, figure 8d, where R = r* = 62 is out of range of the computations). Proc. R. Soc. Lond. A (1995)

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458

Table 2. Special values oft

N

z

~7f ~7f

0

0

27f

0 1

¥-7f

3.7x10- 3 3.4x10- 6

10 1

0

r( ~,· l I (~,· l (r* +1 )/2

r* ""' 27ft

22

-2 -1

3.4x 10- 10

39 62

+b

3.3x 10- 15

It should be noted that although these t values are large in the sense that the optimum order r* of Riemann-Siegel truncation is large, they are all smaller than the lowest Riemann zero (near t = 14.1), and for all except one (t = 257r /8 ~ 9.8) the main sum is empty. For the lowest Riemann zero, r* = 89, which is out of reach of our computations. The extraordinary accuracy of the Riemann-Siegel expansion is achieved at a high computational cost. To attain the optimal accuracy exp( -1rt), the number of terms that must be included is 21rt; this is 47r 2 N 2 and so increases faster than the number of terms in the main sum in (4). Nevertheless, it is interesting to speculate that it might be possible to attain still higher accuracy, by extending 'hyperasymptotics' (Berry & Howls 1991) to the Riemann-Siegel expansion. I thank Dr Jonathan Keating and Professor Michael Morgan for very helpful conversations, and useful comments based on their careful reading of the manuscript.

Appendix A. Recurrence relation for 9rm This is the derivation of (33). The first step is to expand g(x, y), defined by (31), in terms of y. Thus we write

(A 1) with g0 (x) = 1. Differentiating the second equation with respect toy and identifying terms in y gives 1 9r+l(x)

r

= - -1 r+

L

(m

+ 1)rm+l(x)g,._m(x).

(A2)

m=O

Now we note that, from (31), r+2

r

/r ( X )

-

-

X

X

2r - 4(r

+ 2)

-

[(

-

1)(r+2)/42rb

] (r+2)/4 when (r + 2)/4 is integer·

(A3)

The next step is to expand 9r ( x) in powers of x (cf. (32)): lnt(3r /2) 9r(x)

=

L

9rsX3r-2s.

(A4)

s=O

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The Riemann-Siegel series for the zeta function

459

Substitution into (A 2) and identifying terms now gives, ignoring for the moment the upper limits of the sums, 1 k 1 (r,m)

(r + 1)9r+l,m =

2

L

9r-k,m-1-k-

1 k2(r,m) (k + 1) 4 (k + 3)9r-k,rn-k

L

k=O

+

k=O

[2.:: 2k+l( -1)(k-l)/4(k + 1)b(k+3)/49r-k,m-3(k+l)/2] (k+3)/4 k

·

(A5)

integer

In the last sum we change the variable to k = 4p + 1 and thereby obtain (33). The upper limits (34) of the sums are determined by the requirement that in each 9rm the indices must satisfy 0 :::::; m :::::; Int(3r/2). Thus in the first sum, k 1(r,m) follows from

0:::::; m- 1- k:::::; Int(~(r- k))

(A6)

and similarly for k2. For the third sum, the same principle gives 0:::::; m- 3(2p + 1):::::; Int(~(r- 4p- 1))

(A 7)

and p( m) follows from the first inequality.

Appendix B. C2m(1) from discontinuities in the main sum {Gabcke 1979) Continuity of Z (t) at t = 21r N 2, in spite of the discontinuity of the main sum in (4), implies that the Riemann-Siegel coefficients in ( 5) must satisfy 0

= E--+0 lim[Z(21rN 2 +c)- Z(21rN 2 - c)] = 2N-1/2 cos{t9(27rN2)- 27r N2log N} + ( -~c2+1

f

Cr( +1); ,Cr( -1). (B 1)

r=O

The symmetry relation (25), together with (14), gives

f

C2;;~ 1 ) = (-1)N cos{t9(27rN 2 ) - 27rN 2 logN}

m=O

= cos( ~7r) cos{x(27r N 2)} +sin( ~7r) sin{x(27r N 2)}. Noting the expansion (15) for

(B 2)

x, and defining (B3)

we see that the desired C 2m(1) depend on the real coefficients e 1 (with e 0 expansion exp{ix(27r N 2)}

= exp (- ~ dmx 2rn-l)

=~ ezx

1•

= 1) in the (B4)

From (B 2), the coefficients are C41 (1)

= (-1) 1 cos( ~7r )e2ll

C4l+2(1)

= (-1 )1sin( ~1r)e21+1·

(B 5)

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M. V. Berry

The e 1 can be found from the following recurrence relation, which follows from differentiating (B 4): 1 Int(l/2) el+l=-l+ 1 (2s+1)ds+lel-2s·

L

(B6)

s=O

Gabcke's argument can be extended by requiring that derivatives of Z(t) are continuous at t = 21r N 2 . This leads to (rather cumbersome) equations determining the nth derivatives of the Riemann-Siegel coefficients Cr at z = 1, where n + r is even.

Appendix C. Two results on late terms in asymptotic series These results (which are probably 'well known to those who know well', and are given here for completeness) will be used in Appendix D. The first concerns the exponential of an asymptotic series. If 00

s(x) =

L

(C 1)

SnXn

n=l

is a factorially divergent formal asymptotic series, we seek the high-order coefficients en defined by

(C2) Clearly, e 0 = 1. Differentiating (C 2) gives

(C3) For n » 1 the assumed factorial divergence of the sn implies that the terms in this series diminish as powers of 1/n. We include the first two terms, to allow for the circumstance (which will occur in Appendix D) that the first might vanish because of symmetry. Thus en+l ~ Sn+l + SnSt for n >> 1. The second result concerns the product of two asymptotic series. If 00

00

n=O

n=O

(C4)

(C5) are factorially divergent formal asymptotic series with s 0 the high-order coefficients Pn defined by

= 1 and

t0

= 1, we seek (C6)

n=O

Clearly, Po

n=O

n=O

= 1.

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The Riemann-Siegel series for the zeta function Collecting terms with the same power of

:r

461

gives

n

Pn

=L

Sktn-k

= tn + s1tn-1 + ... + Sn + t1sn-1 +...

(C 7)

k=O

For n » 1 the assumed factorial divergence of the Sn and tn implies that the terms in the two series following tn and Bn in (C 7) diminish as powers of 1/n. Therefore (CS) In words, the high orders in the product series are simply the high orders of the dominant of the two component asymptotic series.

Appendix D. Two results for the gamma series exp(ix) The first result is the derivation of the formula (60) for the high coefficients C 2 m ( 1). This is an application of the 'exponential' formula (C4) to the high orders of the series (B4) generating C 2 m(1). Identification of the middle member of (B4) with the first member of (C 2) gives

(D 1) For the high dm, we use the definitions (B 3) and (15), together with asymptotics of the Bernoulli numbers, to obtain ~ ( -1)m(2m- 2)!

= (-1)m(2 2m- 1 - 1)IB2ml

d m

(27r)2m-122m2m(2m- 1)

(27r)4m-1

form» 1.

form» 1.

(D 2)

(D3)

Substitution into (B 5) gives the claimed formulae (60). The second result is the justification, promised in the second paragraph of § 3, for ignoring terms generated by the factor exp(ix) when calculating the high orders of the Riemann--Siegel series. From (B 3) and (B 4) we find

(D4) From (D 4) we have the high-order behaviour

r(l)

el a2l

rv

(27r )2la2l

(D5)

so the coefficient of 1/ a" in the expansion of exp(ix) is proportional to

ror) (27r)".

(D6)

This is smaller by 2-"/ 2 than the leading dependence found for the Cr in (57) and Proc. R. Soc. Lond. A (1995)

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M. V. Berry

462

so, by the result (C 8), the factor exp(ix) does not contribute to the asymptotics of the Riemann-Siegel coefficients. Another way to see this is to reinstate t and note that the terms in the expansion of exp(ix) diverge as

rOr) (27rt}r/ 2 '

(D 7)

which is smaller than (59) and by Borel summation generates a remainder of order exp(-21rt), rather than the exp(-1rt) found in §4.

References Berry, M. V. 1986 In Quantum chaos and statistical nuclear physics (ed. T. H. Seligman & H. Nishioka), pp. 1-17. Springer Lecture Notes in Physics No. 263. Berry. M. V. 1989 Proc. R. Soc. Land. A422, 7-21. Berry, M. V. 1991 Proc. R. Soc. Land. A434, 465-472. Berry, M. V. & Howls, C. J. 1991 Proc. R. Soc. Land. A434, 657··675. Berry, M. V. & Howls, C. J. 1993 Proc. R. Soc. Land. A443, 107-126. Berry, M. V. & Keating, J.P. 1992 Proc. R. Soc. Land. A437, 151-173. Brent, R. P. 1979 Math. Camp. 33, 1361 1372. Dingle, R. B. 1973 Asymptotic ex;pansions: their derivation and interpretation. New York and London: Academic Press. Edwards, H. M. 1974 Riemann's zeta function. New York and London: Academic Press. Gabcke, W. 1979 Neue Herleitung und Explizite Restabschiitzung der Riemann-Siegel-Forme!. Ph.D. thesis, Gottingen. Keating, J.P. 1993 In Quantum chaos (ed. G. Casati, I. Guarneri & U. Smilansky), pp. 145-185. Amsterdam: North-Holland. Odlyzko, A. M. 1987 Math. Camp. 48, 273-308. Odlyzko, A. M. 1990 The 1020 th zero of the Riemann zeta function and 175 million of its neighbours. AT&T Bell Laboratory preprint. Odlyzko, A. M. & Schonhage, A. 1988 Trans. Am. math. Soc. 309, 797-809. Paris, R. B. 1994 Proc. R. Soc. Land. A 446, 565-587. Titchmarsh, E. C. 1986 The theory of the Riemann zeta-function, 2nd edn. Oxford: Clarendon Press. van de Lune, J., te Riele, H. J. J. & Winter, D. T. 1986 Math. Camp. 46, 667-681. Wolfram, S. 1991 Mathematica. Addison-Wesley. Received 16 November 1994; accepted 4 January 1995

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A new asymptotic representation for '0 +it) and quantum spectral determinants BY M. V. BERRY AND J.P. KEATINGt H. H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 JTL, U.K.

By analytic continuation of the Dirichlet series for the Riemann zeta function s(s) to the critical lines= ~+it (t real), a family of exact representations, parametrized by a real variable K, is found for the real function Z(t) = s(~+it)exp{iO(t)}, where is real. The dominant contribution Z 0 (t,K) is a convergent sum over the integers n of the Dirichlet series, resembling the finite 'main sum' of the Riemann--8iegel formula (RS) but with the sharp cut-off smoothed by an error function. The corrections Z 3 (t,K), Z 4 (t,K) ... are also convergent sums, whose principal terms involve integers close to the RS cut-off. For large K, Z 0 contains not only the main sum of RS but also its first correction. An estimate of high orders m ~ 1 when K < tl shows that the corrections zk have the 'factorial/power, form familiar in divergent asymptotic expansions, the least term being of order exp {- ¥0t}. Graphical and numerical exploration of the new representation shows that Z 0 is always better than the main sum of RS, providing an approximation that in our numerical illustrations is up to seven orders of magnitude more accurate with little more computational effort. The corrections Z 3 and Z 4 give further improvements, roughly comparable to adding RS corrections (but starting from the more accurate Z 0 ). The accuracy increases with K, as do the numbers of terms in the sums for each of the Zm. By regarding Planck's constant n as a complex variable, the method for Z(t) can be applied directly to semiclassical approximations for spectral determinants A(E, n) whose zeros E = E 1(n) are the energies of stationary states in quantum mechanics. The result is an exact analytic continuation of the exponential of the semiclassical sum over periodic orbits given by the divergent Gutzwiller trace formula. A consequence is that our result yields an exact asymptotic representation of the Selberg zeta function on its critical line.

e

1. Introduction Riemann's celebrated function s(s) arises not only in connection with prime numbers (Edwards 1974) but also as a model for spectral determinants in quantum chaology (Berry 1986, 1991; Berry & Keating 1990; Keating 1992a, b). It is often necessary to be able to represent s(~+it) in a simple way high in the critical strip (llmtl < ~. IRe tl ~ 1) and calculate it there with great accuracy. Particularly important is the critical line t real, where, according to the Riemann hypothesis, the non-trivial zeros lie. Our purpose here is to describe a way of doing this which has some advantages over the method currently used, and which can be applied directly to the analogous functions in quantum mechanics. t Present address: Department of Mathematics, The University, Manchester M13 9PL, U.K. Proc. R. Soc. Land. A (1992) 437, 151-173 Printed in Great Britain

© 1992 The Royal Society

151

Reprinted from Proceedings of the Royal Society A, Volume 437, (1992). The Royal Society is collaborating with JSTOR to digitize, preserve, and extend access to Proceedings: Mathematical and Physical Sciences. ® www.jstor.org

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152

The method is an extension of the formal approximating scheme introduced in Keating (1992a) for semiclassical formulae, and applied to ?.;(s) in Keating (1992b). Here we go further; first, by eliminating the formal aspect of this approach; second, by pursuing it to its natural conclusion to obtain a complete asymptotic expansion; and third, by fine-tuning a parameter to improve convergence. It follows from the functional equation for ?.;(s) that the function defined by Z(t)

=cxp {il9(t)} S(l +it)

(1)

r r(l+lit)l~

cxp{il9(t)}= r~ ~cxp{-iitlnrc} (;1- :Jlt)

with

(2)

is an even function oft (19 is odd). Moreover, it is real when tis real, as is 19(t). The simplest representation for ?.;(s), namely the Dirichlet series (3)

converges only when Res> 1, and so fails when used in (1) for real t, generating a Z(t) that is neither obviously real nor obviously even. Computation of Z(t) for real t using (3) requires analytic continuation. A powerful

method, now universally used when tis large (Haselgrove 1963; Brent 1979; Odlyzko 1987), is the Riemann-Siegel formula (Edwards 1974; Titchmarsh 1986), hereinafter called RS: N(t)

Z(t)

=

2 n~l

cos{l9(t)-tlnn}

yn

(-1)N(t)

(2 )! j~o (2f )i/ tTC

k

2

1). However, the branch point gives a vanishing contribution. Therefore we can substitute (3), and obtain Z(t)= L: [Tn(t)+Tn(-t)],

(10)

n~1

where Tn(t)

=

f

exp{i(B(t)-tlnn)} 1 dz . V . ~y(z,t)exp{l[B(z+t)-B(t)-zlnn]}. n 2m c_ z

(11)

This analytic continuation gives Z(t) on the critical line as a manifestly even function. The fact that B(t) is odd leads (by an argument involving the deformation of C_ to the real axis plus an infinitesimal semicircle) to the relation (12)

and thence, via (10), to the (necessarily) real even function Z(t)

=

2Re 2:: Tn(t).

( 13)

n~1

Of course these formulae make sense only if the sums and integrals converge. We achieve this by making the choice (14) where K is a constant whose significance will become clear later. Convergence of the integrals (11) is obvious. In Appendix A we show that the sum over 1~ converges too: after an initially rapid decrease as exp l-ln 2 (n/N)], the ultimate decrease of the terms is very slow, namely as n- 1 ln-in. This slow convergence of then-sum will now be hastened by expanding each Tn as a series whose terms can be evaluated explicitly. The form (14) is chosen ad hoc. We have not explored the possibility of choosing y to optimize convergence. Proc. R. Soc. Land. A (1992)

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New asymptotic series for zeta functions

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3. Series expansion Henceforth we consider t > 0; this leads to no loss of generality because z(t) is even. In (11) we expand exp{iO(z+t)} as

exp{i[O(z+t)-O(t)]} = exp{i[zO'(t)+lz2 0"(t)]}[1+ m~a zmbm(t)].

(15)

in which the functions bm(t) can be calculated recursively from O(t) in terms of the polygamma functions !fr(x) ((n-1)st logarithmic derivative of r(x)), {

oo

oo

m~a zmbm(t) = exp i s~s (lz)"

Im is!fr less general theory as 8-> 0

(1)

Thus reduction must involve the study of limits, that is asymptotics. The crucial question will be: what is the nature of the limit 8 -> 0? We shall see that very often reduction is obstructed by the fact that the limit is highly singular. Moreover, the type of singularity is important, and the singularities are not only directly connected to the existence of emergent phenomena but underlie some of the most difficult and intensively-studied problems in physics today. There is one aspect of the study of limits in physics which has attracted

the attention of philosophers, beginning with Berkeley, that I will not be considering here, even though there are interesting and subtle points still to be brought out. This centres on the fact that the limit 8 = 0 is always an idealization; in any actual situation, 8 is always finite. Instead of discussing this important matter, which involves the relation between the world and our models of it, I shall remain firmly in the realm of theory. Before proceeding to examples, I must disambiguate an irritating terminological orthogonality. Philosophers consider the less general theory as being 'reduced by' the encompassing theory, because the latter employs principles that are more elementary to explain more phenomena [1). Physicists, however, find it more natural to think of the reduction as occurring the other way, that is by the more general theory 'reducing to' the less general one as 8 -> 0 because the less general one is a special case (thus the function cos e 'reduces to' 1 as e -> 0).

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599 2. Singular limits and emergent phenomena Here are six examples of the scheme (1) in physics, together with the meaning of the dimensionless parameter 6. •

special relativity ---> Newtonian mechanics, 6 = vI c.



general relativity---> special relativity, 6 = Gmlc 2 a.



statistical mechanics ---> thermodynamics, 6 = 1IN.



viscous (Navier-Stokes) flow---> inviscid (Euler) flow, 6 = 11Re = 'fllpav.



wave optics ---> ray optics, 6 =



quantum mechanics ---> classical mechanics, 6 =

>.I a.

Iii S.

Here the meaning of the symbols is as follows. v : speed of body; c: light speed; G: Newton's gravitational constant; m: mass of body; a: typical linear dimension of body; N: number of particles; Re: Reynolds' number; 'fJ : viscosity; p: density; >. :wavelength; li : Planck's constant; S: typical classical action.

Reduction in its simplest form is well illustrated by the first example. Every physics student learns that one form of the connection between the encompassing theory of special relativity and the less general theory of Newtonian mechanics is contained in the 'low speed' series expansion

v

~ 1 -

12 12 o· = 1 - -6 - -6 + · · ·

2

8

(2)

The left side represents special relativity, and the right side is a convergent Taylor series whose first term represents Newtonian mechanics. Mathematically, special relativity is analytic in 6 at 6 = 0, so that the limit is unproblematic (the hyper-relativistic limit 6 = 1 is singular, but that is a different matter). My main point will be that this simple state of affairs is an exceptional situation. Usually, limits of physical theories are not analytic: they are singular, and the emergent phenomena associated with reduction are contained in the singularity. Often, these emergent phenomena inhabit the borderland between theories. To begin, consider the third example, namely the reduction of thermodynamics by statistical mechanics as the number of particles ( N = 1I 6) increases to infinity (the 'thermodynamic limit'). Standard arguments [2] involving Iarge-N asymptotics show that for a fluid the thermodynamic

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600 equation of state, e.g. the pressure P(V, T) as a function of volume and temperature, can (in principle and to a large extent in practice) be derived from the principles of statistical mechanics and a knowledge of the forces between the atoms. But the reduction runs into difficulty near the critical point P" Vo, T,, where the compressibility" o= [- V(8Pj8V)r]- 1 is infinite. The problem is to find the form of the divergence of " as T -+ T,. This is a power-law, whose exponent is wrongly given by otherwise useful models such as the Van der Waals theory. The reason for the difficulty is fundamental, and only after a decade of concentrated effort was it clarified, and techniques developed for the correct calculation of 'critical exponents'. Thermodynamics is a continuum theory, so reduction has to show that density fluctuations arising from interatomic forces have a finite (and microscopic) range. This is true everywhere except at the critical point, where there are fluctuations on all scales up to the sample size. Thus at criticality the continuum limit does not exist, corresponding to a new state of matter [3]. In terms of our general picture, the critical state is a singularity of thermodynamics, at which its smooth reduction to statistical mechanics breaks down; nevertheless, out of this singularity emerges a large class of new 'critical phenomena', which can be

understood by careful study of the large-N asymptotics. A particularly vicious example, at the cutting edge of applied mathematics nowadays, is the fourth on the above list, namely the mechanics of a fluid as its viscosity is decreased or its speed is increased (so that 8 gets smaller). Exact solution of the Navier-Stokes equation for smooth flow down a pipe, driven by a pressure difference b.P , predicts that the mass flow rate is proportional to b.P . For small 8, however, experiment shows a rate close to ..;;s:F . The reason is that the predicted flow is unstable, and the true flow is not smooth but disorderly, that is, turbulent. In turbulence [4-6], instead of viscous dissipation vanishing smoothly as 8 -+ 0, the dissipation concentrates onto a set of zero measure which is fractal in form. Again the limit 8 -+ 0 is singular, and out of the singularity emerges an important phenomenon, namely turbulence, whose mathematical nature is still far from ullderstood. 3. Quantum and classical mechanics

Now we come to the examples I shall discuss in most detail - not because they are more fundamental than the others but because they lie closest to my own research interests [7]- namely the reduction of ray theory (e.g. geometrical optics) to wave theory, and (closely related) of classical to quantum mechanics. Here, singular limits abound, even in the simplest problems, as

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the following example shows. A wave (of light, sound or water, for example) travelling along the x-axis with speed v can be represented by 2

(3)

'lj; = cos { ; (x- vt)}

In the ray limit (where for example geometrical optics provides a consistent and serviceable description of, for example the operation of telescopes and cameras), we have A-+ 0. But this limit is singular! 'lj; is non-analytic at A= 0, so that it cannot be expanded in powers of A ; instead, this wavefunction oscillates infinitely fast and takes all values between -1 and + 1 infinitely often in any finite range of x or t. Only if we consider the wave intensity, corresponding to 'lj; 2 , and average over a small interval corresponding to the finite resolution of a detector, do we get the finite and smooth result corresponding to the intensity of the system of parallel rays corresponding to (3); often it is convenient to average over time (reflecting the fact that for light or sound the wave frequency is too high to measure directly): 2

('lj;'), =(cos' { ;

(x- vt)} ), =

~

(4)

Now consider the superposition of two such waves, with speeds v and -v, giving 2

2

'lj; =cos { ; (x- vt)} +cos { ; (x + vt)} = 2 cos c;x} cos c;v}

(5)

and the time average

('lj;'), = 2cos 2 c;x}

(6)

This describes a spatially fixed interference pattern such as that produced by a double slit. Again there is a powerful singularity at A = 0. To eliminate it requires an extra average, this time spatial, and then we obtain

(7) Thus to obtain from wave theory the simple fact that in ray theory two beams of intensity 1/2 add to give intensity 1, with no interference, requires a double average over a mathematically pathological function. Having seen that interference is associated with a cos 2 (1/ A) singularity in the ray limit, we now examine the anatomy of other sorts of wave singularity. An interesting case occurs when waves reach places that rays do not.

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Examples are the outside of a glass-air interface within which total internal reflection occurs, the dark side of a rainbow, and the thin layer of air near a hot road in which mirage reflections are seen. In the ray limit, the wave and its intensity are zero, but there are nevertheless waves present, whose amplitude is typically ,,, { -function of x} "' ex exp .\

(8)

Again this is singular, and cannot be expanded in a power series in .\ (all terms are zero). An important role is played by the transition between these two sorts of singularity (cos2 {1/.\} and exp{ -1/ .\} ). (This is somewhat analogous to the transition T through T, in thermodynamics, for large N.) The transition happens across a caustic, which is an envelope of a family of rays (a generalized focal surface in space, or line in the plane), marking the boundary between regions with different numbers of rays. In the simplest case, the regions have two rays and no rays, corresponding to the 'interference' and 'penetration' regimes represented by (6) and (8). A caustic is a collective phenomenon, a property of a family of rays that is not present in any individual ray. Probably the most familiar example is the rainbow. The singularity across a caustic must interpolate between (6) and (8). How this happens was first elucidated by Airy in 1838 as part of an attempt to understand supernumerary rainbows, that is oscillations on the lit side of the bow, in the intensity of light of a given colour. It was necessary for him to invent a new function Ai(z), oscillatory for z < 0 and decaying for z > 0. In terms of Ai(z), the wave across a caustic has the form (9)

In this transition, the emergent phenomenon is the fringe pattern associated with a caustic: in the ray limit .\ -> 0, its intensity grows as .\ -l/3 , and the spacing of the fringes shrinks as .>. 2/ 3 • Caustics can themselves have singularities, whose classification is the province of catastrophe theory [8]. At such places, the envelope of rays is itself singular. These singular envelopes are decorated with wave patterns 1jJ whose .\ -> 0 singularities (shrinking fringe spacings and diverging intensities) depend on the geometry of the catastrophe. Such 'diffraction catastrophes' have intricate and beautiful structures [9,10], and constitute a hierarchy of nonanalyticities, of emergent phenomena par excellence. The patterns inhabit the borderland between the wave and ray theories, because when .\ is zero the fringes are too small to see, whereas when .\ is too large the

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overall structure of the pattern cannot be discerned: they are wave fringes decorating ray singularities. Quantum mechanics is a particular wave theory, whose corresponding ray theory is classical mechanics, and where Planck's constant li plays the role of wavelength A (through De Broglie's relation A= 2rrli/p where pis momentum). Its relation to classical mechanics should be through the semiclassical limit li --> 0. When the limit is not singular, we have the correspondence principle: quantum observables tend to their classical counterparts as li --> 0. Usually, though, the limit is singular, and then the correspondence principle, while often a useful guide [7], is too crude to be a substitute for mathematical asymptotics. From the analogy with other sorts of waves we expect that the nonanalyticities and emergent caustic phenomena described above will occur in quantum mechanics, and these have indeed been seen in the scattering of electrons, nuclei and atoms. In addition, the li --> 0 limit is enriched by another limit, which is fundamental, namely the long-time limit

t

~ 00.

There are several reasons to study the long-time limit in conjunction with the semiclassical limit: • Spectra of atoms and molecules involve the quantized energies of these systems when in stationary states. These are states that persist over infinite time, so their semiclassical study -spectra near the classical limit inescapably involves t --> oo too. • Experiments on atoms traversing strong oscillating fields begin to probe the combined li --> 0, t --> oo limit. • It is only after infinite time that chaos may occur in the classical orbits. Chaos [11, 12] is unpredictability arising from exponential sensitivity to initial conditions in a bounded region. Therefore any attempt to study how classical chaos is reflected in the semiclassical limit of quantum mechanics ('quantum chaology' [13, 14]) must evidently involve t --> oo as well. The essential point is that the two limits do not commute: taking the classical limit first, and the long-time limit second, leads to a different result from taking the limits in the reverse order. Such a clash of limits implies a sillgularity at the origin of the plane with coordinates li, 1/t. One way to try to resolve the clash is to take both limits at once, in a controlled way, i.e.

n-+ 0,

t

-+

oo, lit

=

7

= constant

(10)

In the one case where it has been possible to take the combined limit explicitly [15], for a system whose classical dynamics is trivial, analysis shows that the point li = 1/t = 0 is truly a 'dragon's lair' , so singular that the behaviour exhibits a fantastic complexity which depends on the arithmetic nature of r.

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When the classical orbits are chaotic, the clash of limits generates some remarkable emergent phenomena. I will briefly describe just one: the statistics of spectral fluctuations. Consider a bound quantum system, that is one with a discrete spectrum of energy levels, and ask about the distribution of these levels in the semiclassical limit. The simplest fact about the levels is that as li. -> 0 they get closer together - their mean spacing is proportional to liN, where N is the number of freedoms. This must happen, because in the classical limit the levels form a continuum. (It is worth pausing to remark that this particular passage to the limit provides a nice illustration of the 'incommensurabiliti and 'correspondence' approaches to reduction. In the

first, it is emphasized that for any finite li. , however small, the spectrum is always discrete: the classical continuum is never reached, and so cannot be said to be logically contained in the semiclassical limit. On the other hand, when li. is sufficiently small the inevitably finite resolution of any spectroscopic measuring device means that the results of all observations will be the same as if the spectrum were continuous, and the correspondence principle can be said to apply.) Now imagine looking at the set of levels with a microscope [14] whose power is proportional to the mean level density, thus generating a rescaled spectrum consisting of a set of numbers whose mean density remains constant as li. -> 0. What is the statistical nature of the fluctuations of this set of numbers about its (unit) mean density? The answer is remarkable: apart from trivial exceptions, the fluctuations are universal [14, 16], that is, independent of the details of the system and dependent only on whether the orbits of its classical counterpart are regular or chaotic. Paradoxically, the spectral fluctuations are those of a sequence of random numbers (Poisson distribution) when the classical motion is regular, and are more regularly distributed (exhibiting the level repulsion characteristic of the eigenvalues of random matrices) when the classical motion is chaotic. We are beginning to understand this quantum universality [7] in terms of semiclassical asymptotics: it arises from a similar universality in the distribution of long-period classical orbits. Universality of the spectral fluctuations is a novel qualitative phenomenon emerging from quantum mechanics in the combined semiclassical long-time limit. It was not predicted by analysis of the Schrodinger equation, but was dlscovered in numerical experiments (and later seen in real experiments) motivated by some physical arguments. Nevertheless Schrodinger's equation does contain it, albeit well concealed behind some very tricky (and incompletely explored) asymptotics.

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4. Divergent series So far, we have considered only the leading-order behaviour in the parameter 8 whose vanishing describes how the encompassing theory reduces to the less general one. In those cases where any sort of mathematical treatment was possible, the leading-order behaviour was quite complicated (cf. equation (9)), and this of course reflects the singular nature of the limit. But determination of the leading order is only the first step: a complete treatment requires understanding the series consisting of all the correction terms - usually involving powers of 8. The determination of such series is still in its infancy, but it has been carried out for certain of the simpler problems of wave physics described in §3. The most important characteristic of such series, and one which almost certainly extends to all series associated with singular reductions, is that they diverge. This was one of the factors prompting a re-examination [17] of the mathematics and physics of divergent series. The main results reinforce earlier indications [18] that the divergent tail, conventionally discarded as mathematically meaningless, contains important information in coded form. When decoded, these tails not only enable the function being expanded to be approximated to previously unequalled levels of accuracy but also describe physical effects, associated with the reduction that the asymptotics is attempting to describe, which are qualitatively different from those contained in the leading terms. Examples are the exponentially weak births of rays beyond caustics [19] and the generation of transitions between quantum states [20] in the adiabatic limit of slow driving. It seems clear that these ideas, and further developments of them, must be involved in any complete description of how the less general theory is embedded in the structure of the encompassing theory.

5. Concluding remarks Even in what philosophers might regard as the simplest reductions, between different areas within physics, the detailed working-out of how one theory can contain another has been achieved in only a few cases and involves sophisticated ideas on the forefront of physics and mathematics today. This is because in all nontrivial reductions the encompassing theory is a singular perturbation (parameterised by 8) of the less general one. The singularities are reflected in the quantities of the encompassing theory being nonanalytic at 8 = 0, and the nonanalyticities describe emergent phenomena in the borderland between the theories. As examples of these phenomena I described thermodynamic critical behaviour in fluids, fluid turbulence, interference

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patterns decorating optical caustics, and the chaology-dependent statistics of energy-level fluctuations in quantum mechanics. It should be clear from the foregoing that a subtle and sophisticated understanding of the relation between theories within physics requires real mathematics, and not only verbal, conceptual and logical analysis as currently employed by philosophers. One can hope that these ideas generalize beyond physics {for example to the reduction of biology or chemistry). This would mean that the problem of theory reduction would itself have been 'reduced', to the mathematical asymptotics of singularities. From the evidence so far, the task will be far from easy, and will require the development of new physical ideas and new mathematical concepts and techniques.

Finally, I would be the first to admit that the ideas explored here lack precision in several respects, and have not been presented in their final form. I hope they will benefit from the attention of philosophers. References [1] BULLOCK, A. and STALLYBRASS, 0. 1977, The Fontana Dictionary of Modern Thought. (Collins, London). "Reduction: ... In philosophy ... the process whereby concepts ... that apply to one type of entity are redefined in terms of concepts ... of another kind, normally one regarded as more elementary ... ". [2] TOLMAN, R.C. 1938, The Principles of Statistical Mechanics (Oxford, University

Press). (3] WILSON, K.G. 1975, Rev. Mod. Phys. 47, 773-840. [4] MANDELBROT, B.B. 1982, The Fractal Geometry of Nature (San Francisco: Free· man). [5] FRISCH, U, 1983, in Chaotic Behaviour in Deterministic Systems, eds G. loess, R.H.G. Heileman and R. Stora, Les Houches Lecture Series XXXVI (Amsterdam:

North-Holland) pp665-704. (6} SREENIVASAN, K.R. and PRASAD, R. 1989, Physica D38, 332-339. [7] BERRY, M.V. 1991, in Chaos and Quantum Physics, eds M-J Giannoni, A. Voros and J. Zinn-Justin, Les Houches Lecture Series LII (Amsterdam: North-Holland). [8] POSTON, T. and STEWART, I.N. 1978, Catastrophe Theory and its Applications

(London: Pitman). (9] BERRY, M.V. and UPSTILL,C.1980, Progress in Optics 18, 257-346. (10] BERRY, M.V. 1990, Current Science (India), 59,1175-1191. [11] STEWART, I.N. 1989 Does God Play Dice? The Mathematics of Chaos (Oxford:

(12] (13] (14] (15)

Blackwell). BERRY, M.V. 1990, Proc.Roy. Institution of Gt. Britain, 61, 189-204. BERRY,M.V., 1989, Physica Scripta 40 335-336. BERRY, M.V., 1987, Proc.Roy.Soc. A 413, 183-198. BERRY, M.V., 1988, Physica D, 33, 26-33.

[16} BOHIGAS, 0. and GIANNONI, M-J.1984 in Mathematical and Computational Methods in Nuclear Physics, eds., J.S.Dehesa, J.M.G.Gomez and A.Polls, Lecture Notes

in Physics 209 (N.Y.:Springer-Verlag) pp1-99. (17] BERRY, M.V. 1991 Asymptotics, superasymptotics, hyperasymptotics ... in Asymptotics beyond all orders, ed. S. Tanveer (New York: Plenum) in press.

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607 [18) DINGLE, R.B. 1973, Asymptotic Expansions: their Derivation and Interpretation (London: Academic Press). , [19] BERRY, M.V., 1989, Publ. Math.of the Institut des Hautes Etudes scientifique, 68 211-221. [20[ BERRY, M.V. 1990 Proc.Roy.Soc.Lond, A429, 61-72.

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[6.2]  531

Singular Limits Michael Berry iting into an apple and finding a maggot is unpleasant enough, but finding half a maggot is worse. Discovering one-third of a maggot would be more distressing still: The less you find, the more you might have eaten. Extrapolating to the limit, an encounter with no maggot at all should be the ultimate bad-apple experience. This remorseless logic fails, however, because the limit is singular: A very small maggot fraction (f ≪ 1) is qualitatively different from no maggot (f ⊂ 0). Limits in physics can be singular too—indeed they usually are— reflecting deep aspects of our scientific description of the world. In physics, limits abound and are fundamental in the passage between descriptions of nature at different levels. The classical world is the limit of the quantum world when Planck’s constant h is inappreciable; geometrical optics is the limit of wave optics when the wavelength l is insignificant; thermodynamics is the limit of statistical mechanics when the number of particles N is so large that 1/N is negligible; mechanics of a slippery fluid is the limit of mechanics of a viscous fluid when the inverse Reynolds number 1/R can be disregarded. These limits have a common feature: They are all singular—they must be, because the theories they connect involve concepts that are qualitatively very different. As I explain here, there are both reassuring and creative aspects to singular limits. And by regarding them as a general feature of physical science, we get insight into two related philosophical problems: how a more general theory can reduce to a less general theory and how higher-level phenomena can emerge from lower-level ones. The coherence of our physical worldview requires the reassurance that, singularities notwithstanding, quantum mechanics does reduce to classical mechanics, statistical mechanics does reduce to thermodynamics,

B

MICHAEL BERRY (http://www.phy.bris. ac.uk/uk/staff/berry_mv.html) is Royal Society Research Professor in the physics department of Bristol University, in the UK.

10 MAY 2002 PHYSICS TODAY

and so on, in the appropriate limits. We know that when calculating the orbit of a spacecraft (and indeed knowing that it has an orbit) we can safely use classical mechanics, rather than having to solve the Schrödinger equation. An engineer designing a bridge can rely on continuum elasticity theory, without needing to know the atomic arrangements underlying the equation of state of the materials used in the construction. However, getting these reassurances from fundamental theory can involve subtle and unexpected concepts. Perhaps the simplest example is two flashlights shining on a wall. Their combined light is twice as bright as when each shines separately: This is the optical embodiment of the equation 1 ⊕ 1 ⊂ 2. But we learned from Thomas Young almost exactly two centuries ago that this mathematics does not describe the intensity of superposed light beams: To account for wave interference, amplitudes must be added, and the sum then squared to give the intensity. This involves the phases of the two waves, �v say, and gives the intensity as +exp(iv) ⊕ exp(⊗iv)+2 ⊂ 2 ⊕ 2 cos 2v, which can take any value between 0 and 4. So, what becomes of 1 ⊕ 1 ⊂ 2? Young himself, responding to a critic who claimed that the wall should be covered with interference fringes, agreed, but pointed out that “the fringes will demonstrably be invisible . . . a hundred . . . would not cover the point of a needle.” Underlying this explanation is a singular limit: The unwanted cos 2v does not vanish but oscillates rapidly. If the beams make an angle q, the fringe spacing is l/2q, vanishing in the geometrical limit of

small l. The limit is singular because the cosine oscillates infinitely fast as l vanishes. Mathematically, this is an essential singularity of a type dismissed as pathological to students learning mathematics, yet here it appears naturally in the geometrical limit of the simplest wave pattern. Young’s “demonstrable” invisibility requires an additional concept, later made precise by Augustin Jean Fresnel and Lord Rayleigh: The rapidly varying cos 2v must be replaced by its average value, namely zero, reflecting the finite resolution of the detectors, the fact that the light beam is not monochromatic, and the rapid phase variations in the uncoordinated light from the two flashlights. Only then does 1 ⊕ 1 ⊂ 2 apply—a relation thus reinterpreted as a singular limit. Nowadays this application of the idea that the average of a cosine is zero, elaborated and reincarnated, is called decoherence. This might seem a bombastic redescription of the commonplace, but the applications of decoherence are far from trivial. Decoherence quantifies the uncontrolled extraneous influences that could upset the delicate superpositions in quantum computers. And, as we have learned from the work of Wojciech Zurek and others, the same concept governs the emergence of the classical from the quantum world in situations more sophisticated than Young’s, where chaos is involved. For example, the chaotic tumbling of Saturn’s satellite Hyperion, regarded as a quantum rotator with about 1060 quanta of angular momentum, would, according to an unpublished calculation by Ronald Fox, be suppressed in a few decades by the discrete nature of the energy spectrum. However, nobody expects to witness this suppression, because Hyperion is not isolated: Just one photon arriving from the Sun (whose reemission enables our observations) destroys the coherence responsible for quantization in a time of the order of 10⊗50 seconds, and reinstates classicality.1 Alternatively stated, decoherence suppresses the quantum suppression of chaos. Other reassurances are equally hard to come by. For example, for© 2002 American Institute of Physics, S-0031-9228-0205-210-9

Reuse of AIP Publishing content is subject to the terms at: https://publishing.aip.org/authors/rights-and-permissions. Download to IP: 137.222.30.159 On: Mon, 17 Oct 2016 09:26:26

Reproduced from ‘Singular Limits’, Physics Today (May 2002), 10-11, American Institute of Physics, S-0031-9228-0205-210-9, with the permission of the American Institute of Physics. http://dx.doi.org/10.1063/1.1485555

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532   A Half-Century of Physical Asymptotics and other Diversions mally obtaining thermodynamics from statistical mechanics involves applying the mathematical saddlepoint method to an infinite-dimensional integral. But although such reassurances about the appropriate application of earlier, less general theories are welcome, they look backward rather than forward. However, there is a creative side to singular limits: They lead to new physics. For large N, where a central idea is symmetry-breaking, this creative side is concisely expressed in Philip Anderson’s celebrated phrase: More is different.2 The vast literature on critical phenomena reflects the fact that the large-N limit of statistical mechanics is singular at a critical point because there the continuum postulated in the thermodynamic limit is never reached, even when averaging over distances far exceeding the spacing between atoms. Correlations span arbitrarily large distances, and the critical state—the new physics—is a fractal. The zero-viscosity limit of fluid mechanics is singular because of the still-mysterious phenomenon of turbulence, whose definitive understanding would earn one of the Clay Foundation’s $1 million prizes. In quantum mechanics (and indeed the physics of waves of all kinds), a range of new phenomena lurk in the borderland with classical mechanics. High-lying energy levels display remarkable universality: Their statistics depend only on whether the corresponding classical orbits are regular or chaotic, and on certain global symmetries. In the chaotic case (see the column “Quantum Chaos and the Bow–Stern Enigma” by Daniel Kleppner, PHYSICS TODAY, August 1991, page 9), the associated wavefunctions resemble random functions of position decorated by “scars” along classical periodic orbits. (See the article “Postmodern Quantum Mechanics,” by Eric J. Heller and Steven Tomsovic, PHYSICS TODAY, July 1993, page 38.) For regular motion, the dominant feature is focusing, and the classical paths are singular on caustics; the caustics are decorated with striking and characteristic interference patterns (see my column “Why Are Special Functions Special?” in PHYSICS TODAY, April 2001, page 11). Such postmodern quantum effects are emergent phenomena par excellence: The discrete states they describe are essentially nonclassical, but can be unambiguously identified only for highly excited states, that is, under near-classical conditions. New ideas in physics often inspire, http://www.physicstoday.org

a

b

ACROSS THE BOUNDARY between classically allowed and forbidden regions in a two-dimensional chaotic system, the density of trajectories falls discontinuously to zero. This classical limit is singular because, in the corresponding semiclassical quantum wavefunctions shown here as simulations (with the classical boundary indicated by dashed lines), (a) the probability density (color-coded from red at maxima to black at zeros) fluctuates smoothly, and (b) the phase (color-coded by hue) varies smoothly except at points where all colors meet (points that are themselves singularities).

or are inspired by, new ideas in mathematics, and singular limits are no exception. Underlying critical phenomena is the renormalization group, which determines how systems transform, or remain invariant, under changes of scale—a fertile idea that is essentially mathematical but whose foundations have not been rigorously established. The quantum–classical connection involves divergent infinite series (for example, in powers of h), and the divergence can be traced precisely to the singularity of the limit. Some quantum phenomena involving divergent series are nonclassical reflection above a smooth potential barrier, weak quantum transitions caused by slowly varying external forces, and the representation of spectra in terms of classical periodic orbits. Mathematicians long regarded divergent series with suspicion; in 1828, Niels Henrik Abel wrote that they “are an invention of the devil, and it is shameful to base on them any demonstration whatsoever.” But such series are often the best (even the only) way to calculate physical quantities, and applied mathematicians, disregarding Abel’s censure, have freely developed sophisticated manipulations and regularizations of the divergences. An elementary example of a divergent series is 1 ⊕ 2 ⊕ 3 ⊕ 4 ⊕ . . . , which can be resummed to give the value –1/12; this looks like a joke, but is the unambiguous result of zeta function regularization, widely used in quantum field theory. Much more violent divergences arise from singular limits associated with the integrals and differential equations of physics, and

have been tamed using more sophisticated methods. This is the domain of mathematical asymptotics and singular perturbation theory. In the 1990s, the long overdue beginnings of a rigorous mathematical theory were established. Singular limits carry a clear message, which philosophers are beginning to hear:3 The physics of singular limits is the natural philosophy of renormalization and divergent series. Perhaps they are recognizing that some problems of theory reduction can themselves be reduced to tricky questions in mathematical asymptotics—an extension of the traditional philosophical method, of argumentation based on words. Usually, we think of “applications” of science going from the more general to the more specific—physics to widgets— but this is an application that goes the other way: from physics to philosophy. One wonders if it counts with those journalists or administrators who like to question whether our research has applications. Probably not.

References 1. M. V. Berry, in Quantum Mechanics: Scientific Perspectives on Divine Action, R. J. Russell, P. Clayton, K. WegterMcNelly, J. Polkinghorne, eds., Vatican Observatory Publications, Vatican City State, and The Center for Theology and the Natural Sciences, Berkeley, Calif., (2001), p. 41. 2. P. W. Anderson, Science 177, 393 (1972). 3. R. W. Batterman, The Devil in the Details: Asymptotic Reasoning in Explanation, Reduction, and Emergence, Oxford U. Press, New York (2002). 

MAY 2002

PHYSICS TODAY 11

Reuse of AIP Publishing content is subject to the terms at: https://publishing.aip.org/authors/rights-and-permissions. Download to IP: 137.222.30.159 On: Mon, 17 Oct 2016 09:26:26

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Foreword

Newton's third law does not apply to the interaction between philosophers ('them') and physicists ('us'). It has usually been asymmetrical, with 'us' influencing 'them', without 'them' acting on 'us'. In a way this is natural, because the raw material that philosophers study are the discoveries and theories of science and the interactions between scientists, while the primary preoccupation of physicists is not the study of philosophy or philosophers. I do not deny that there have been eminent scientists (Einstein, Poincare, Bohr. .. ) who have pondered on the philosophical significance of the scientific picture of the world, and much of what they said has been immediately appreciated by practicing scientists. But their wise intellectual interventions have usually been outside the philosophical mainstream. This book by Sergio Chibbaro, Lamberto Rondoni and Angelo Vulpiani (CRV) is an exception. Although their day job is the practice of theoretical physics, they have something genuinely new to say about the physicist's picture of the world, that should be of interest to philosophers. Their focus is on what has long been studied by philosophers as 'the problem of reduction'. This concerns the relations between different levels of description of physical phenomena. Optics is a good example. Light can be described in terms of the rays of geometrical optics, as interfering waves, as electromagnetic fields, or as the photons of quantum field theory. These are levels of increasing generality; each encompasses phenomena described at the previous levels and also includes new phenomena that were unexplainable earlier. But the concepts and mathematical expressions of these levels are very different, and moving between them is almost always challenging. It is far from straightforward to derive the formula relating the object and image of a simple lens by starting from the field operators of quantum optics supposedly the deepest of our current pictures of light. This illustrates a wider difficulty. One can have a general theory-or even, as some envisage, the theory of everything-which stubbornly resists attempts to employ it to explain phenomena that were well understood at more elementary levels: at the more sophisticated level, they are emergent. This was cleverly caricatured in Ian McEwen's novel Solar: a string theorist, caught by his wife in a compromising situation with another woman, tries to reassure her: "Darling, I can explain everything". It often happens that theories claiming great explanatory

VII

Reprinted from ‘Reductionism, Emergence and Levels of Reality: The Importance of Being Borderline’, Springer, (2014).

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A political reach are in fact powerless to explain many particular phenomena. s badly behave but ty humani all loves who ist analogy comes to mind: the ideolog ters. to every individual person he encoun the theories The resolution of these difficulties starts from the observation that as some limits involve them n betwee s relation of physics are mathematical, and wavethe when optics rical geomet to' s 'reduce parameter vanishes: wave optics when physics l classica to s' 'reduce physics length is negligibly small, quantum n betwee s relation anding underst re Therefo etc. ed, Planck' s constant can be neglect the And otics. asympt atical mathem is, that limits, levels must involve the study of involved central reason why 'reduces to' is so problematic is the fact that the limits e, nuisanc a as d regarde not be should limits r are usually singular. These singula they y, contrar the On . theories general more the of and certainly not as deficiencies for fundashould be embraced with enthusiasm, because they are responsible omena at s-phen theorie n betwee ands borderl the mental phenomena inhabiting statistical in ena phenom critical as such , the forefront of physics research levels of energy the of s statistic al univers the and mechanics, fluid turbulence . highly excited quantum systems of Being CRV fully appreciate these ideas; hence their subtitle The Importance phisome are There detail. in and depth in them Borderline. And they explore atical mathem in rities singula of ance signific the losophers who have grasped an and asymptotics for the understanding of theory reducti on-Rob ert Batterm CRY's of value The y. minorit a remain they but mindAlisa Bokulich come to of point this of ion exposit nging wide-ra and gth full-len account is that it is the first view by physicists who are sensitive to the concerns of philosophers. Bristol, UK, December 2013

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Brit. J. Phil. Sci. 61 (2010), 889–895

REVIEW ALISA BOKULICH Reexamining the Quantum-Classical Relation: Beyond Reductionism and Pluralism Cambridge, Cambridge University Press 2008, 208 pp. £42.00 (Hardback), ISBN: 978-0-521-85720-8 Michael Berry H H Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL, UK [email protected]

Quantum mechanics and classical mechanics are magnificent structures, each with vast explanatory reach. In their usual formulations, the two theories look very different. Classical physics describes the motion of particles in terms of their positions and velocities, influenced by forces acting between them and from outside. In quantum physics, dynamical variables are operators, acting on states in a Hilbert space of vectors, with evolution determined by a Hamiltonian operator. Nevertheless, there is considerable overlap in the phenomena they describe. Although nobody planning an extraterrestrial mission would use Schro¨dinger’s equation as a starting point for programming the trajectories of rockets, few physicists doubt that quantum mechanics applies to planets and spacecraft as well as atoms. The subtle and intricate relations between the classical and quantum worlds are the subject of this very welcome book by Alisa Bokulich. The quantum-classical connection is a special case of the philosophical problem of theory reduction. As Bokulich explains, conventional approaches to reduction are centred on two contrasting views. In the first (‘imperialism’ or ‘theoretical serial monogamy’), a more general theory, once conceived and validated by experiment or observation, immediately supersedes its less general predecessor theory. Thus, chemistry is regarded as a branch of quantum physics, notwithstanding difficulties in calculating molecular structure and spectra or reaction rates. In the second approach (‘isolationism’ or ‘promiscuous realism’), we live in a ‘dappled world’, in which each science maintains its separate domain of applicability, with chemistry, biology, geology, etc., retaining their repertoires of concepts and techniques. Bokulich rejects  The Author 2010. Published by Oxford University Press on behalf of British Society for the Philosophy of Science. All rights reserved. doi:10.1093/bjps/axq022 For permissions, please email: [email protected]

Reprinted from The British Journal for the Philosophy of Science, Volume 61, (2010).

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this polarization, and most physicists who reflect on their craft would agree with her. She begins her analysis of the relations between quantum and classical physics by a sensitive and detailed exposition of the views of three quantum pioneers. Werner Heisenberg regarded classical and quantum mechanics as perfect, complete, and separate structures that will never be changed, each describing phenomena in their separate domains of applicability. Nowadays this seems a strangely restricted view; as Bokulich points out, it not only fails to delineate what the ‘separate domains of applicability’ are, but is also discordant with the manner in which classical concepts played an essential role in Heisenberg’s creation of quantum mechanics. Niels Bohr’s view was more nuanced. For him, quantum mechanics is a ‘rational generalization’ of classical mechanics, involving correspondences between the two theories at every level. Usually, Bohr’s ‘correspondence principle’ is interpreted narrowly, as relating frequencies of light involved in transitions between states with large quantum numbers to the frequencies of associated classical trajectories (Bokulich does not emphasize that the quantum numbers must be close as well as large). A more general interpretation of correspondence is that classical and quantum predictions must agree in the limit when Planck’s constant h can be neglected. Even this fails to capture what Bohr intended, which is that classical concepts permeate quantum physics not just in the ‘classical limit’ but at every level. Paul Dirac’s view was very different, perhaps reflecting his education in electrical engineering and applied mathematics. For him, both classical and quantum mechanics are ‘open theories’: approximate descriptions of phenomena, evolving and changing in response to new experiments and theoretical insights. Of the three approaches, Dirac’s is closest to that advocated by Bokulich, but there are two important features ignored by the pioneers and also by almost all philosophers of science with the notable exception of Robert Batterman. The first, that she discusses but in my view does not emphasize enough, is that the limit h ! 0 is mathematically singular. This was missed by the pioneers because of their emphasis on the connections between the two theories at the level of formalism (e.g., relating classical Poisson brackets to the commutators of quantum operators), rather than the much richer and more subtle connections between the solutions of the formalism (e.g., wavefunctions and energy levels). Bokulich illustrates the singular limit with the example of particles encountering a potential barrier with sufficient energy to cross it: classically, they slow down but eventually all are transmitted; quantum mechanically some are reflected, the fraction being exponentially small in h and therefore mathematically singular. This is an unnecessarily sophisticated example; the singular limit arises even in the most elementary situation where two equally intense beams of particles overlap. Classically, the intensity is

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the sum of those in the separate beams (1 + 1 = 2). Quantum mechanically, the beams interfere, and the spacing of the fringes separating regions of constructive and destructive interference is proportional to h; across the fringes the intensity varies from zero and four times that of each beam (1 + 1 6¼ 2) and the classical limit is achieved only after spatial averaging (‘decoherence’), reflecting the inability of experiment to resolve fringes on infinitely fine scales. A more far-reaching manifestation of the singularity is that the classical limit h ! 0 and the long-time limit t ! 1 cannot be interchanged. This apparently arcane observation resolves much of the confusion about the quantal implications of classical chaos, i.e., persistent instability, which emerges in the long-time limit: confined quantum systems can mimic chaotically evolving classical ones, but ultimately (after times that get larger as h gets smaller) the chaos is suppressed. The second important previously neglected feature is Bokulich’s central and original contribution: classical structures, far from being redundant anachronisms superseded by concepts from quantum mechanics, are playing an important role in explaining quantum phenomena. The explanations are based on mathematical approximations to the full quantum theory that have come to be known collectively as ‘semiclassical mechanics’. As vividly expressed in an adaptation of a quotation attributed to Boris Kinber in the related context of the ray limit of wave optics, this is ‘sewing the quantum flesh on the classical bones’. Bokulich elaborates this point of view with three case studies, which form the intellectual core of her book. The first is the ground state of the helium atom: the lowest energy level of two electrons repelling each other and attracted by the nucleus. This played an important historical role in the development of quantum mechanics. When Bohr created what has come to be called ‘old quantum theory’, he explained the energy levels of the single electron in the hydrogen atom by postulating quantum rules that selected particular classical orbits. This spectacular success stimulated others to try to generalize the rules to determine the energy levels of more complicated systems. Of these attempts, the most far-reaching was Einstein’s, but even his generalization could be applied only to classical trajectories that were multiply periodic; in modern terms, non-chaotic trajectories. In particular, nobody succeeded in quantizing helium. This failure led to old quantum theory being regarded as merely a way-station leading to the full quantum theory, within which accurate numerical schemes for solving the Schro¨dinger equation enabled the ground state of helium to be determined in agreement with experiments. These computations established that quantum mechanics gives a correct description, but did not provide insight into the nature of the quantum state of the electrons. Only in the early 1990s was it realized, by the late Dieter Wintgen and his colleagues, that the failure of early attempts to quantize helium was not a failure of old quantum theory but arose

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from inability to identify the correct classical structure in this example of the three-body problem (two electrons and the nucleus). When the relevant classical orbits were identified, and incorporated into a modern semiclassical approximation to quantum mechanics, the energy thus calculated agreed closely with the ‘exact’ energy that had been computed from Schro¨dinger’s equation. This study broke new ground in the classical three-body problem, an example (in the spirit of Dirac’s ‘open theory’ approach to science) of quantum physics leading to deeper understanding of classical physics. Why bother—why make an approximate calculation when an exact formalism is available? Bokulich offers three reasons, which also apply to her two other examples: First, the semiclassical treatments provide an investigative tool [. . .] to investigate physical domains that might not yet be accessible either experimentally or with a fully quantum calculation. Second, they provide a calculational tool: semiclassical calculations [. . .] can be less cumbersome than full quantum calculations. Finally, they provide an interpretive tool: [. . .] physical insight into the structure of a problem, in the way that a fully quantum-mechanical approach might not.

The second case study is the spectrum of high excited energy levels of atoms in strong magnetic fields; these are called Rydberg atoms. Bokulich writes that These atoms call to mind Tom Stoppard’s play Hapgood, in which he writes ‘there is a straight ladder from the atom to the grain of sand, and the only real mystery in physics is the missing rung. Below it, [quantum] particle physics; above it, classical physics; but in between, metaphysics’ [. . .]. As an atom that is the size of a grain of sand, Rydberg atoms are ideal tools for studying the ‘metaphysics’ of the relation between classical and quantum mechanics.

In the 1960s, experiment had revealed unexpected resonant structure in the spectrum, associated with the outermost electron, for energy ranges in which this electron was expected to be torn off, leading to an ionized atom with a much simpler spectrum. It took twenty years for the explanation to emerge, and as with helium the concepts were semiclassical. The first step was to understand that motion of the electron is largely chaotic, as the result of conflict between the elliptical ‘Kepler’ orbits the electron would have under the action of the nucleus alone, without the magnetic field, and the helical paths it would have in the magnetic field alone. The second step was to modify a semiclassical theory that had been developed by Martin Gutzwiller, in which the quantum spectrum—the collective of energy levels—is related to the spectrum of classical periodic orbits, that is, the set of those orbits that repeatedly traverse the same path. One modification was to smooth the spectrum, reflecting the finite resolution of the experiments; this had been anticipated by Roger Balian and Claude Bloch, and led to a representation in terms of a small subset

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of the infinity of classical orbits. The more fundamental modification, by John Delos and collaborators, was to realize that the force the electron experiences has a singularity at the position of the atomic nucleus, so the relevant orbits are those that start and end at the position of the nucleus: closed, but not periodic. Then a semiclassical calculation, exquisitely blending classical concepts with the quantum notion of wave interference, succeeded in reproducing the full variety of the observed spectrum. The third case study concerns calculations for ‘quantum billiards’: wavefunctions representing quantum particles confined in planar enclosures where the corresponding classical trajectories would be chaotic. Standard quantum algorithms enable the states to be computed. In 1984, Eric Heller made the important observation that some of the states exhibit regions of high intensity, centred on classical periodic orbits, and gave a semiclassical argument indicating why such ‘scars’ should exist, even though the orbits are all unstable— yet another example of classical reasoning giving insight into a quantum phenomenon. Bokulich seems to imply that scars conflict with my 1977 prediction that the wavefunctions of highly excited states can be modelled by random functions represented by many interfering waves, based on the semiclassical argument that typical chaotic trajectories pass many times through the same region. In fact there is no conflict, and the reason is an instructive illustration of the subtlety of the semiclassical quantum domain. Heller’s scars are an asymptotic phenomenon, in the sense that the scars get more distinct for high excited states where they are less obscured by the finite quantum wavelength. But they are transitory asymptotic phenomena: although there are always some scarred states, they get rarer higher in the spectrum, and are of measure zero in the extreme asymptotic regime. There, almost all states are not concentrated on periodic orbits; indeed, they explore the enclosure uniformly on average (according to an earlier theorem by Alexander Shnirelman), and randomly on finer scales, both features reflecting the behaviour of the classical billiard motion. The co-existence of scars and random waves without contradiction provides a fine illustration of another distinction that Bokulich mentions but does not explore, referring instead to discussions of it by Robert Batterman: between ‘universal’ and ‘particular’ phenomena. This entered physics during the 1960s in the attempt to understand how the thermodynamic properties of materials emerged from the statistical mechanics of their microscopic constituents. The particular phenomena are system specific and distinguish one material from another; they include the boiling point of water and the temperature at which iron loses its magnetism. More interesting and fundamental are universal phenomena, such as the manner in which the compressibility becomes infinite as critical points are approached, according to scaling laws that are

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quantitatively identical for a vast range of materials. The understanding of this universality generated deep and unanticipated insights, including the emergence of fractal structures on all scales, obstructing the smooth reduction of statistical physics to thermodynamics: the many-particle limit is singular, as is the classical limit h ! 0. In quantum billiards, scars are particular phenomena, because the individual periodic orbits on which the wave intensity is concentrated depend on the shape of the billiard boundary. The random-wave regime is universal: quantitatively the same for all boundary shapes provided only that the corresponding classical motion is chaotic. The distinction between the universal and the particular appears not only in the morphology of quantum wavefunctions of classically chaotic systems, but also in the arrangement of their high-lying energy levels. The universal features are the statistics of correlations between close-lying levels, for example, the probability distribution of the spacings between nearest neighbours. In a footnote, Bokulich speculates ‘[. . .] that one could cook up a [. . .] statistical asymptotic agreement between classical and quantum mechanics [. . .] without having [. . .] law-like correspondence between the classical and quantum structures.’ Exactly this ‘statistical asymptotic agreement’ is provided by random-matrix theory, a branch of mathematics that is logically independent of quantum theory and has many applications in other areas of science but which reproduces with high accuracy the statistics of energy levels. The explanation of random-matrix universality is an application of Gutzwiller’s relation between spectra and periodic orbits. According to this, short-range structure in the energy spectrum is associated with very long classical periodic orbits—a connection that is a consequence of the uncertainty principle relating time and energy. But long classical orbits display a beautiful universality of their own, discovered in the early 1980s by John Hannay and Alfredo Ozorio de Almeida, and it soon became clear that the quantum universality follows from this, though the details are subtle and still being elaborated. An unanticipated implication of the connection between spectra and periodic orbits was that correlations between distant levels are associated with short orbits, and because these are not universal the level correlations will not be universal either; these are the particular phenomena, depending on the details of the classical system, just like wavefunction scars in quantum billiards. Bokulich’s detailed case studies raise an important question, to which she devotes the final chapters. The discovery of quantum mechanics as a deeper theory revealed classical trajectories as temporary structures that dissolve under close scrutiny and can now be discarded. How can nonexistent objects form the basis of explanation and give insight, as semiclassical physics clearly indicates? The same problem arose in optics, where the explanatory structures are the caustics: singularities on which ray families are focused, clearly visible as the brightest features in optical images (e.g., the dancing lines of focused

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sunlight on the bottoms of swimming pools). In the 1960s, it became clear, through the mathematical discoveries of Rene´ Thom and Vladimir Arnold, that caustics are restricted to certain universal forms. It was soon realized that this universality extends to the wave patterns that decorate caustics in the limiting regime of small wavelengths and smooth away their singularities. Some people wondered why we were using properties of nonexistent singularities, when the same phenomena could be ‘explained’ without them, by numerically solving the fundamental wave equations. I confess to being puzzled that people find these questions puzzling. The explanatory structures (periodic orbits, ray caustics) are models, constructs that help our understanding. We do not find it problematic that the answer to the question ‘Where is my dinner?’ is ‘On the table’, even though a table is our convenient name for a model, assigning significance to what we now know to be an assembly of molecules consisting of atoms whose electrons and nuclei move in largely empty space. Bokulich surveys several philosophical theories of how models can explain, and concludes that none of them can give a satisfactory account of current understanding based on semiclassical analysis as in her three case studies. She ends by sketching her own ‘interstructuralism’: an attempt to replace the contrasting ideas of the imperialist and isolationist theories with an approach that combines aspects of both, closer to Bohr and Dirac than to Heisenberg. Her conclusions justify the explanatory power of concepts from a superseded theory when used in the theory that replaces it. In brief, ‘fictions can explain’. Bokulich fully appreciates many subtleties that practicing physicists occasionally understand intuitively, but are rarely explicit about. Her ideas are refreshing and original and presented with clarity and erudition. I unreservedly recommend her book to anyone wanting to understand the intricate connections between the classical and quantum worlds.

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Chapter 7: Tributes   545

These thirteen contributions record my appreciation of some scientists I greatly admire. With the exception of Dirac [7.5], they are not on everyone’ s all-time favourites list (Galileo, Newton, Maxwell, Einstein...), but they have influenced the content and style of my science. My debt to my supervisor Dingle [7.8] should be clear from Chapter 4. John Ziman ([7.7], see also [B394]) was the intellectual attractor who brought me to Bristol. The untimely death of S. Pancharatnam [7.2] meant that I never met him, and learned only later ([B167, B212], and [1.7]) about his seminal geometric phase research in polarization optics. His other writings, and unrelated chance comments by Anton Zeilinger and Nimrod Moiseyev, led me to a variety of physical applications [B293, B350, B355, B372] of the mathematics (previously unfamiliar to me) of degeneracies of non-Hermitian operators. I also never met Pancharatnam’s uncle, the optical scientist C. V. Raman [7.1]. But I became personally friendly with Raman’s son, the radio astronomer and intrepid lone sailor and flyer V. Radhakrishnan. And I had the pleasure of knowing his other nephews: the astrophysicist S. Chandrasekhar, the liquid crystal scientist S. Chandrasekhar, and the crystallographer S. Ramaseshan (to whom Mark Dennis and I dedicated [B355] on his and John Nye’s 80th birthdays). A brilliant scientific dynasty , now gone. Space prevents me describing my researches inspired by the fractals of Benoit Mandelbrot ([7.6], see also [B112, B80, B82, B149, B274, B275, B283, B334, B336]). He too became a personal friend — see [B453].

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SPRING BOOKS

Independence of mind Michael Berry Joumey Into Ught: Life and Science of C.V. Raman. By G. Venkataraman. Indian Academy of Sciences: 1988. Pp. 570. Distributed in Britain and the United States by Oxford University Press, £22.50.

THE past two years have seen centenaries of the birth of several of India's most brilliant citizens: Nehru, founder of the modern state; Ramanujan, diviner of amazing mathematical formulae; and Raman, the prolific and original physicist whom this book celebrates. Raman's life and work were complex and many-sided, causing great difficulties of judgement and emphasis for any biographer. Venkataraman (who in spite of his name does not share with several other talented Indian scientists the distinction of being a relative of Raman) solves these problems by anchoring his story firmly in the science. He has produced a model of scientific biography, written with respect and affection for its subject but with a clear-eyed perception of his faults, in a relaxed and gently witty style. Raman's work was on the physics of waves and overwhelmingly centred on optics. He is best known for the effect that bears his name, but that was not discovered until he was 40 years old, when he was already established internationally as an authority on a variety of subtle, classical interference and diffraction phenomena such as the colours of heated metals and layers of bubbles. He had also studied the production of musical tones. An interesting discovery was that Indian drums have skins whose thickness varies radially in such a way that the frequencies of the overtones are integer multiples of the fundamental, so that they sound more harmonious than their Western counterparts, whose skins are radially uniform and generate irrational overtones. The Raman effect is the scattering of light with a change of frequency (that is, inelastic scattering); it occurs in liquids, solids and isolated molecules. The change in frequency occurs when the light exchanges energy with the internal vibration or rotation states of whatever scatters the light. Compared with the elastic, or Rayleigh, scattering, for which the incident and scattered beams have the same frequency, the Raman effect is weak, which is why it was not discovered earlier. Raman (with Krishnan) found it by deploying simple apparatus with great experimental skill. The discovery was announced in Nature. Venkataraman mentions anecdotal evidence that the paper was first rejected. New evidence confirms this: apparently there were two unfavourable referees, both Fellows of the Royal Society, who provoked in the

editor (Sir Richard Gregory) the opinion that any paper inspiring such vehement opposition must have something good in it and so should be published! The paper stimulated a great deal of immediate and continuing interest, not only by demonstrating a fundamental optical effect fully concordant with the (then) new quantum mechanics but also by providing a sensitive probe of the vibrational and (for molecules) rotational structure of matter. Raman's creative work did not

I -Raman Offering enlightenmenton crystals.

with the Raman effect. I was surprised to learn that he discovered or anticipated several phenomena usually regarded as having been found decades later by others. One of these is what is now called 'speckle'. This is the mottled appearance of coherent light scattered by static randomness such as grains of powder on a screen or irregularities on a rough painted wall. Nowadays speckle is a familiar accompaniment of images produced by lasers, but Raman (with Ramachandran) saw it in light from a mercury lamp filtered by a pinhole. He had a complete understanding of the phenomenon, 20 years before lasers were invented. Another anticipation is of what are now called 'soft modes'. A soft mode in a solid is a vibration whose frequency vanishes as a critical temperature is approached. The vanishing indicates the weakening of the structure, which changes abruptly at the critical temperature. Raman (with Nedungadi), using Raman spectroscopy,

NATURE · VOL 338 · 20 APRIL 1989

observed the decrease in a lattice vibration frequency of quartz and correctly understood its association with a structural phase transition. A high point of Raman's work after the discovery of the Raman effect was his theory (with Nath) of the diffraction patterns produced by light traversing refractive-index corrugations made by irradiating a liquid with ultrasound. As Venkataraman puts it, in a chapter charmingly titled "Son et lumiere", Raman loved waves, and this problem had light waves as well as sound waves. What more could he ask for? . . . The full-fledged Raman-Nath theory was put to a stringent test only in 1963 ... [and] is as good as one would want it to be, provided one takes the trouble of carefully solving the equations.

Recently I learned that this theory too is an anticipation: exactly the same equations have been rediscovered in the theory of free-electron lasers. The failures of great scientists are often as interesting as their successes, and Raman had his share of failures. Perhaps the best known is his controversy with Born about the vibration spectrum of diamond. Because of a persistent mathematical misunderstanding of the dynamics of crystal lattices, he never accepted the fact that the vibration frequencies form a continuum. He predicted a discrete spectrum, on the basis of a 'quasi-molecular' theory of his own, and he carried out experiments that seemed to confirm it. As Venkataraman explains, Raman's theory, although wrong, picked out a particular subset of the vibrational modes, at which the spectrum has singularities that Born did not know about but whose existence was later demonstrated by Van Hove. His experiments had fairly low resolution and so he saw only the singularities, masquerading as sharp lines. In other words, Raman was locally correct but globally wrong. The part he got right is an important part and reflects his native brilliance. He would not have erred the way he did had he been trained properly in quantum physics.

I long suspected that Raman never properly understood the connection between wave optics and geometrical optics. That suspicion is confirmed by the account here of his ideas about the mirage. By imagining the air above a hot surface as a stack of slabs of slightly different refractive indices, he convinced himself that refraction could never make a downwardsloping ray turn upwards, because a ray once horizontal would remain so. In other words, refraction could never simulate reflection. This is a misunderstanding of the law of refraction in a continuously varying medium; the same argument, applied to an obliquely fired projectile, would predict that it would never fall but would continue horizontally on reaching its greatest height. The mistake led him to think the mirage could be explained only 685

© 1989 Nature Publishing Group

Reprinted from Nature, Volume 338, (1989).

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SPRING BOOKS with a wave theory. He constructed such a theory, and it was correct, but rather than being an anticipation of later work, it was a rediscovery of a result published by Airy in 1838. Raman's collaborator on the theory of the mirage was his talented nephew Pancharatnam, fated soon to die at a tragically early age. Venkataraman gives a detailed account of Pancharatnam 's ideas on the interference of polarized light. Only now are we beginning to appreciate their originality and depth - for example his anticipation of the geometric phases now in fashion. These and many other areas of physics are explained with elegance and clarity. The author is a theoretical physicist with a flair for simple and direct exposition. Sometimes more sophisticated mathematical treatments are merited, and these are given in separate sections so as not to interrupt the main narrative. Raman seems to have been a difficult and obstinate man. His dealings with administrators and bureaucrats, men of narrow vision compared to him, were

stormy, and he made enemies among his colleagues. He became embroiled in controversy and resigned in rage, first from his chair in Calcutta and then from the directorship of the Indian Institute of Science in Bangalore. Finally he founded his own Raman Research Institute in Bangalore. That Institute continues today as a jewel in the crown of Indian science, a tribute to Raman and his successor Radhakrishnan. Venkataraman discusses these matters in great detail and with sensitivity. His book makes us appreciate how unusual Raman must have been to produce such an abundance of creative science, first in the stifling colonial atmosphere of British India, and then in the turbulent struggle for independence. 0 Michael Berry is a Professor in the H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BSB 1 TL, UK.

• Oxford University Press will also be the distributor of Raman's collected works, in six volumes and under the title Scientific Papers of C. V. Raman. The books will become available in July-August, price £25, $49.95 per volume.

NATURE · VOL 338 · 20 APRIL 1989

686 © 1989 Nature Publishing Group

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548   A Half-Century of Physical Asymptotics and other Diversions

Pancharatnam, virtuoso of the Poincare sphere: an appreciation Michael Berry H. H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 ITL, UK. SIVARAJ Ramaseshan graciously invited me to write an essay review of the collected works of S. Pancharatnam. As a partial response to this invitation, I am happy to show my admiration of Pancharatnam by providing the following comments on three of his papers.

Geometric phases in polarization optics Early in 1987, I received from Rajaram Nityananda a reprint of his paper 1 with Ramaseshan, drawing attention to Pancharatnam's anticipation, in 1956, of the geometric phases that had been in fashion since 1983 (and to· some extent still are). Regrettably, I did not read their paper properly, and missed its main point. But I was fortunate to visit Bangalore in July 1987, and Ramaseshan met me and I came to appreciate the relevance of Pancharatnam's pape~. Ramaseshan honoured me with what he thought was the last copy of Pancharatnam's collected works3 (now, more have come to light). Slowly, I realized that Pancharatnam's phase was something I had to understand. This was not easy because his arguments made heavy use of the geometry of the Po.incare sphere, which I knew about but had little facility with. For the long flight home, I set myself the task of interpreting Pancharatnam's discovery in more modern and general terms. That flight was a revelation. I learned that not only had this young fellow of twenty-two created the simplest example of the geometric phase, but that he had also pointed out a feature (the definition of phase difference described below) that had not, by 1987, been perceived in any of the many papers developing my work of 1983. There and then I decided to follow the example of Nityananda and Ramaseshan, and write an exposition5 of Pancharatnam's phase that would bring the full originality of its conception to a larger readership. Pancharatnam was inspired by his mentor C. V. Raman to study the complicated interference figures produced by light beams traversing crystal plates (see page 232, box). For this he needed to compare the phases of waves in different states of polarization. A given state of polarization (given for example by the eccentricity, axes and sense of traversal of the ellipse described by the tip of the electric E or D vector) is

related by a phase factor correspond to the same point on the sphere. Therefore phase is an additional quantity, to be attached to points on the sphere if light beams are to be described completely. To understand interference, it is necessary to know not the absolute phase of a wave but the phase difference between light beams in different states of polarization. Apparently, nobody had asked this simple question. Pancharatnam did ask it, and gave a simple answer: the phase difference between two beams is that phase change which when applied to one of them maximizes the intensity of their superposition. It was instructive 5 to express this in terms of more general mathematics (as used for example in quantum mechanics). Each beam is represented by a spinor with two complex components (corresponding for example to the amplitudes and phases of the components of the D vector perpendicular to the propagation direction). For two beams lA} and IE}, Pancharatnam's rule implies that the phase difference is the phase of their complex scalar product: phase difference between lA} and IB} = phase of (AlB}.

(I)

In particular, the beams are in phase (intensity of overlap a maximum) if the scalar product is real and positive. Nowadays this is known as 'Pancharatnam's connection'. It can be derived from a more general rule, in which lA} is transported to a neighbouring state lA + dA} (for example by passing the beam through an appropriate polarizing crystal), with the phase defined by the requirement (AI d lA} = 0, where diA}

=lA + dA} -lA}.

(2)

5

It can be shown that if this is integrated from lA} to IB}

along the shorter arc of the great circle connecting their representative points on the sphere, then IE} is in phase with lA}. The rule (2) is called parallel transport because it corresponds to moving lA}, regarded as a unit vector perpendicular to the radius of the sphere and attached to its representative point, without turning it about the radius.

represented by a point on the Poincare sphere. However,

Pancharatnam showed 2 that this natural stipulation of

this does not specify the phase of the vibration: all states

phase has a remarkable property. It is non-transitive:

220

CURRENT SCIENCE, VOL. 67, NO.4, 25 AUGUST 1994

Reprinted from Current Science, Volume 67, Issue 4, (1994).

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[7.2]  549 if [A} is in phase with [B), and [B) is in phase with a third state [C), then [C} need not be in phase with [A}. Indeed, if [C) is in phase with a state [A') represented by the same point on the sphere as [A), then the phase factor accumulated after this cycle of polarization states, embodying the phase difference between [A) and [A'}, is (3)

where

QABC

is the solid angle of the spherical triangle

ABC. It can be shown that the same result holds for

more general cycles (e.g. smooth loops) when the state is continued according to the connection (2). Then the solid angle is that of the loop, and the fact that the vector does not return to its original direction reflects the nonintegrability of this connection. What Pancharatnam actually stated was not exactly the result (3 ), but an unsymmetrical version equivalent to it: if two beams [A) and [B), which are in phase, are passed through an analyser bringing them to the state 1 C), their phase difference is - t QABC. In its original form, the geometric phase I found in 1983 concerned not polarization states of light beams, but quantum states of particles, that is, Hilbert-space vectors satisfying the Schrodinger equation. In the adiabatic limit where the environment of the system (that is, its Hamiltonian) changes slowly, the parallel transport law (2) applies, mutatis mutandis, and, being nonintegrable, generates a geometric phase factor when parameters on which the system depends are taken round a cycle. The generalization of the solid angle is the flux through the cycle (in parameter space) of a certain 'phase field' (mathematically, a 2-form)4• In special cases where the phase involves an actual solid angle, this is because the phase field is that of a monopole in parameter space. For spinning particles with angular momentum nli, the strength of the monopole is -n, so the phase is -nO. Therefore the Pancharatnam situation is analogous to the further specialization to spin 112, which, as is well known, is a model for any 2-state system. There was an apparent discordance here, between the fact that photons have spin I, leading to geometric phases of ± n for smooth cycles of their spin direction (e.g. in coiled optical ·fibres6), and Pancharatnam's -1120. But it was clear5 that there is no contradiction, because the two solid angles are different: the first is in the space of propagation directions k for ligbt with a fixed state of polarization, whereas the second is on the Poincare sphere of polarization states for light travelling in a fixed direction k, so that, because of transversality, there are only two states (e.g. components of D perpendicular to k). Ignorant of Pancharatnam's work, l had also calculated geometric phases for the case he studied, that is in a light beam whose state of polarization is changed. CURRENT SCIENCE, VOL. 67, NO.4, 25 AUGUST !994

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l envisaged5• 7 a medium whose birefringence and gyrotropy were changed smoothly along the beam path - for example by a varying electric field (Cotton-Mouton effect) and a varying magnetic tiel!;[ (Faraday effect:r. I was astonished (and not a little humbled) to learn that Pancharatnam had had essentially the same idea (with discrete, rather than continuous polarization changes) thirty years earlier. This was one of several areas in which the geometric phase had been anticipated8• In spite of its startling originality, Pancharatnam's paper2 was completely ignored until Ramaseshan and Nityananda 1 made us aware of it. Now his contribution is properly recognized, and his paper has been cited many times. I will not review subsequent work (Bhandari does so in his accompanying article), but will simply draw attention to two very different applications of the idea. In one, Schmitzer, Klein and Dultz9 remark that the solid angle QABC can change much faster than the angle of rotation of an analyser (representing C with A and B fixed), and propose this as the basis of a new

type of optical switch. In the other, Nye 10 employs Pancharatnam' s connection in a study of phase and polarization singularities in electromagnetic waves that vary in space.

Mirages Although the young Pancharatnam and the elderly Raman were intellectually (as well as consanguinously) close, they wrote only one paper 11 together, about the mirage. When I read it (on the 1987 flight) I realized that it was based on a misunderstanding of the connection between wave optics and geometrical optics. I had suspected confusion on this point since a conversation in 1976 in which Ramaseshan described the RamanPancharatnam ideas to me. Their claim was that the mirage cannot be explained in terms of rays but requires the wave theory. By considering light propagating in the air above a hot surface, considered as a stack of slabs with slightly different refractive indices, they convinced themselves that refraction could never make a downward-sloping ray turn upwards, because a ray once horizontal would remain so. In other words, refraction could never simulate reflection. This was a misunderstanding of the law of refraction in a continuously-varying medium, based on an incorrect limiting process. When applied to mechanics, the same argument (upside-down) would predict that an obliquely-fired projectile would never fall but would continue horizontally on reaching its greatest height. The correct slab limit shows that transverse gradients of refractive index cause rays to curve, just as transverse forces cause particle paths to curve. Why dwell on a mistake, in what is supposed to be an appreciation? To make the point that the errors of first221

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550   A Half-Century of Physical Asymptotics and other Diversions rate scientists can be both instructive and productive. After concluding, wrongly, that the mirage cannot be a refraction effect, they set about constructing a wave theory for the neighbourhood of the layer where, according to them, the rays ought to turn but do not. This is the level of the caustic, where the air acts like a mirror. By using the mathematical analogy between the light wave equation with linearly varying refractive index and Schrodinger's equation for quantum particles in a region of constant force, they expressed the wave in terms of Bessel functions of order ± 1/3. Although this wave theory was constructed on the basis of a confusion, there is no doubt that it is correct. Indeed they successfully carried out experiments with heated plates to test several of its consequences. One irony remains. In contrast to the startling originality and prescience of the polarization phase, the Raman-Pancharatnam theory of waves near a caustic turned out to be not a discovery but a rediscovery. Airy 12 had formulated essentially the same theory in 1838.

Propagation along singnlar crystal axes A treasure among Pancharatnam's papers, that, if anything, pleased me more than his phase, is a surprising special case 13 of wave propagation in absorbing anisotropic crystals. In transparent crystals, the two polarization states that travel unchanged through the crystal in any direction are orthogonal (and so represented by antipodes on the Poincare sphere). With absorption, the eigenpolarizations are no longer orthogonal, and there are even particular crystals and propagation directions (along the 'singular axes') for which they coincide, so th~t only one polarization can propagate. Pancharatnam concentrated on this case, and studied what happens when the orthogonal polarization, which cannot propagate, is introduced into the crystal. Earlier authors were, he claimed, wrong: they had thought such a wave must be reflected. He argued that, on the contrary, the polarization would change gradually into the state that does propagate, and moreover would grow stronger (by a factor increasing linearly with distance) than a wave of the same intensity introduced with the correct polarization. I found this conclusion hard to believe, and his arguments (again based on Poincare sphere geometry, see page 233, Ranganath, G. S., this issue) difficult to follow, and embarked on the task of reconstructing the theory in my own way (as I have already mentioned, it was a long flight). The results vindicated Pancharatnam completely, and moreover produced an analytical expression for the wave which appears nowhere in his papers (although I believe he must have known it). The expression is worth presenting. 222

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Let the beam travel in the z direction. ii. model crystal exhibiting Pancharatnam's phenomenon has dielectric tensor with transverse components

e"')-( Eyy

-

ia

r(b-a)

!(b-a)J ib

0

(4)

This matrix has a single degenerate eigenvalue and a single eigenvector col{!, i)/..J2, representing circularly polarized light. For the medium to be anisotropic, we must have a"- b. For the medium to be absorbing, the rate of energy dissipation must be positive, which implies that the Hermitian matrix i(et_ e) must have positive eigenvalues; when applied to (4) this gives the requirement

Re(a+b)>la-bl,

(5)

which is satisfied by a and b real. If the only other nonzero dielectric tensor component is Ezz , then not only the electric D but also the E vector is transverse, and Maxwell's equations reduce to (6)

where k is the free-space wave number. The solution of (6) given {4) with the initial polarization D(O)=

(~)

(7)

is

D(z) = exp{-fkz{l-i).Ja +b}

x [(

~ )-tkz ~a-:i (1-i)(u+iv)(:)].

(8)

as can be confirmed by substitution. For the eigenpolarization, u =-iv = 11..J2, and the term involving z is zero. For any other initial polarization- in particular the orthogonal one u = +iv- the term involving z grows relative to the term not involving z, just as Pancharatnam discovered. (In spite of the increasing z factor, the energy flow into the medium must decay, because the medium is absorbing, and this is ensured by the exponential prefactor. A direct proof from (8) is lengthy, but the result follows from the fact that the dissipation rate {positive) is minus the divergence of the Poynting vector.) Pancharatnam's law of singular axis propagation is an example of a general mathematical phenomenon: evolution driven by a non-Hermitian matrix M with a degenerate eigenvalue. The lack of Hermeticity is CURRENT SCIENCE, VOL. 67, NO.4, 25 AUGUST 1994

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[7.2]  551 fundamental, because it drastically alters the nature of the degeneracy. If M is Hermitian (as in the quantum mechanics of spin), there are (in the simplest case) two orthogonal eigenvectors corresponding to a degenerate eigenvalue, and in the neighbourhood of the degeneracy (in the space of ·parameters on which M depends) the eigenvalues form a double cone, each sheet of which corresponds to an eigenvalue. If M is not Hermitian (as with (4 )), there is only. one eigenvector at the degeneracy, which is a branch point for the two eigenvalue sheets in its neighbourhood, and around which each eigenvector turns into the other. While writing this I found that the mirror property of a stack of transparent plates (such as glass microscope-slide cover slips or acetate overhead-projector sheets) depends on precisely this phenomenon of a non-Hermitian matrix with a degenerate eigenvalue (I thank S. Klein for posing this problem); so does the matrix governing waves incident at the critical angle on a slab of lower refractive index (I thank G. N. Borzdov for telling me this). The phenomenon of propagation along singular axes (known as Voigt waves) is now well understood, as a result of extensive and definitive theoretical work by Fedorov and his colleagues 14• In a crystal slab, the two waves travelling in each direction can be made to degenerate in several ways, leading to coordinate dependence that can be not only linear but quadratic 15 (for three-wave degeneracy) or cubict 6 (for four-wave degeneracy). However, Pancharatuam's pioneering paper is little known and infrequently cited.

CURRENT SCIENCE, VOL. 67, NO.4, 25 AUGUST 1994

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Now, as we remember Pancharatuam's untimely. death in his creative prime, and celebrate his youthful achievements, it is time to look again through all his work. Who knows what further delicious physics this will reveal? 1. Ramaseshan, S. and Nityananda, R., Curr. Sci., 1986,55, 12251226. 2. Pancharatnam, S., Proc. Indian Acad. Sci., 1956, 44, 247-262 (reprinted in ref. 3, pp. 77-92). 3. Pancharatnam, S., Collected Works, Oxford University Press, 1975. 4. Berry, M. V., Proc. R. Soc. London, 1984, A392, 45-57. 5. Berry, M. V.,J. Mod. Opt., 1987,34.1401-1407. 6. Tomita, A. and Chiao, R. Y., Phys. Rev. Lett .• 1986. 57. 937940. 7. Berry, M. V., in Fundamental Aspects of Quantum Theory {eds. Gorini, V. and Frigerio, A.), Plenum, 1986, NATO ASI series vol. 144, pp. 267-278. 8. Berry, M. V.• Phys. Today, 1990, 43 (12), 34-40. 9. Schmitzer, H., Klein, S. and Dultz, W., Phys. Rev. Lett., 1993,

71, 1530-1533. 10. Nye, J. F., in Sir Charles Frank, OBE, FRS: An Eightieth Birthday Tribute (eds. Chambers, R. G., Enderby, J. E., Keller, A., Lang, A. R. and Steeds, J. W.), Adam Hilger, Bristol, 1991. pp. 220-231. II. Raman, C. V. and Pancharatnam, S., Proc. indian Acad. Sci., 1959. A49, 251-261 (reprinted in ref. 3, pp. 211-221). 12. Airy, G. B., Trans. Camb. Phil. Soc., 1838, 6, 379-403. 13. Pancharatnam, S., Proc. indian Acad. Sci., 1955, A42, 86-109 (reprinted in ref. 3, pp. 32-55). 14. Barkovskii, L. M., Borzdov, G. N. and Fedorov, F. I., J. Mod. Opt., 1990. 37. 85-97. 15. Borzdov, G. N., J. Mod. Opt., 1990,37,281-284. 16. Borzdov, G. N., Opt. Commun., 1990,75,205-207.

223

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552   A Half-Century of Physical Asymptotics and other Diversions

Oration delivered by Michael Berry for

Yakir Aharonov Doctor of Science honoris causa, 16 May 1997 Mr Vice-Chancellor: When Yakir Aharonov began studying physics in the 1950s at the Technion in Haifa, Israel, one of his teachers was Nathan Rosen. Twenty years earlier, Rosen had made an important contribution to the interpretation of the (then rather new) quantum mechanics. But by the time the young Aharonov became entranced by the fundamentals of that theory, its study was unfashionable, and Rosen advised him to concentrate on applications. This fatherly advice was sabotaged by the arrival in Haifa of David Bohm. At that time Bohm was on an odyssey forced by political persecution in the USA, which was then in the grip of anticommunist hysteria. With Bohm, he began to delve into the forbidden subject, and they wrote several papers together. One was about quantum uncertainty; another was about the meaning of the equation for the electron devised by that great Bristolian physicist Paul Dirac. It was natural that when Cecil Powell offered Bohm intellectual refuge and a lectureship in Bristol, Aharonov would accompany him, and register here for a Ph.D as Bohm’s student. Imagine Aharonov arriving in the Bristol of 1957 — not the most exciting city at that time, I am informed — on his first trip abroad. According to rumour, he was embarrassed by his Israeli accent, and thought it would be a handicap in pursuing the natural enthusiasms of a young man, so he took elocution lessons in an attempt to acquire not a Bristol accent but an Oxford one. He abandoned these efforts when, on the very first occasion he ventured onto the street to try out his new voice, the person he addressed replied in Hebrew! Back to physics, then, and a spectacular discovery with Bohm, in 1959, that now bears their name. It concerns an aspect of the microscopic behaviour of quantum particles that contrasts dramatically with that of the same particles in the ‘classical’ mechanics of Newton (which applies on larger scales). The Aharonov-Bohm effect is the ability of charged quantum particles (for example, electrons) to respond to electric and magnetic fields remote from them — classical particles can respond only to fields where they are. Dr (later Professor) Bob Chambers, then himself recently arrived in Bristol, carried out an elegant experiment, helped by a suggestion by Professor (now Sir) Charles Frank, and the Aharonov-Bohm effect was observed, as a shift in the pattern of fringes of interfering electron waves. Their discovery caused an immediate sensation in the world of physics, as an apparently paradoxical but experimentally confirmed prediction of quantum theory. Over the years its importance has grown as its ramifications have emerged in one area of physics after another: molecules, atoms, solids and, most fundamentally, as a cornerstone of the ‘gauge theories’ that now dominate the physics of elementary particles.

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[7.3]  553

After leaving Bristol with his Ph.D, Aharonov held several temporary appointments in the USA before accepting a chair at the University of South Carolina in 1966 and a chair at the University of Tel Aviv in 1967. Two chairs? Only a quantum mechanic could occupy two chairs simultaneously, and persist happily in this unstable and potentially uncomfortable arrangement for more than thirty years. Aharonov’s contributions to physics did not end with the Aharonov-Bohm effect. That was followed by many further brilliant discoveries, of which I will describe two. An object in space, unconnected to any other, looks the same after one complete turn. If the object is tethered by a rope, its turn is registered as a twist in the rope. The surprise comes after two turns: then the rope can be untwisted, and again the tethered object looks the same as before. You can perform this trick with your own hands (I learned recently that it is now accepted as a tai chi exercise). In 1967, Aharonov (with Leonard Susskind) took seriously a fact that had been noted before but dismissed as insignificant, that the distinction between tethered and untethered rotations persists into the microscopic world. In particular, some quantum particles behave as though they are linked to the rest of the world by ghostly strings, and look different after one complete turn: their waves change sign, and return to their original state only after two turns. They suggested an experiment with neutrons to detect this bizarre effect, and in 1975 it was seen by two groups of investigators. The second discovery concerned the ‘geometric phase’. This occurs in quantum systems that undergo a sequence of changes in a cycle, so as to return to their original state. After the cycle, the waves that describe the system exhibit a shift that depends on the geometry of the cycle. This shift is the geometric phase. Its existence as a general phenomenon — with the AharonovBohm and Aharonov-Susskind effects as special cases — had been demonstrated already, but only under the restriction that the cycle be performed slowly. In 1987, Aharonov (working with Jeeva Anandan) removed this restriction, and gave a more general, and rather simple, reformulation of the geometric phase. I mention a curious historical fact. In 1959, when Aharonov and Bohm were discovering their effect here, the head of department was Professor Maurice Pryce. At that time, he was studying the quantum mechanics of molecules, with Longuet-Higgins, Öpik and Sack: specifically, the interaction between the motion of the nuclei and that of the electrons. They found a strange effect: for some cyclic deformations of the molecule (a squirming combination of rotation and vibration) the wave describing the electron changes sign, and this gets reflected in the spectrum of the molecule. Now, it turns out (with the benefit of hindsight) that this too is a geometric phase, mathematically similar to the Aharonov-Susskind effect for neutrons. So, two geometric phases were discovered in Bristol at the same time (two out of seven over the years, actually). There is no evidence that the connection was appreciated then. Theoretical physics is a strange calling. You dream and scribble and, if you are lucky, the world conforms. Popperists would argue that if the world does not conform you are luckier, because then you are surprised and so learn more. I am sure, however, that most of us would be more than happy to be lucky as often as Aharonov has been, rather than luckier. Mr Vice-Chancellor, I present to you Yakir Aharonov as eminently worthy of the degree of Doctor of Science honoris causa.

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Charles Frank funeral eulogy (Canford crematorium, Bristol, 16 April 1998) We mourn the death of Charles Frank, but that unsentimental man would have wished us rather to celebrate his life — a life that spanned most of this century, was shaped by its main events, and, at a crucial moment, helped to determine those events, to the benefit of all of us. He was, from surface to core, a scientific man. All his passion went into endless and active curiosity about the workings of the physical world. This is not the place to enter into details of his discoveries, but I must give a glimpse of their enormous scope. In nuclear physics, it was Charles who proposed that fusion power — that is, the power of sunshine, could be generated using muons. That would be the real cold fusion, not the fake version that made such news a few years ago. In the physics of solid crystals, it was he who explained how the manner in which they grow depends on the defects that mar their perfection. In the physics of liquid crystals, it was his paper of 1958, one of whose main purposes was — and I quote — “to urge the revival of experimental interest in its subject” , that achieved just that, and incidentally led to the technology of liquid-crystal displays, for example those we wear on our wrists. In geophysics, he explained the shapes of island arcs. In biochemistry, he showed how the mathematics of competition can explain why the molecules of life are overwhelmingly of one hand (I mean lefthanded or right-handed, but not both). The distillation of these achievements into his scientific papers was sparing. If he had something to communicate, he wrote one paper, and that was it — like the mathematician Gauss, whose writings were “few, but ripe” . He had a geometric personality, by which I mean that most of his thinking was in pictures. Nobody could forget his literally hand-waving explanations of constructions in three (or more) dimensions — while driving. He had a talent for inventing brilliant images to explain difficult ideas. For example, this, to illustrate a type of stress in a sheet: “Imagine four old men, facing the same way round a square, each sucking the beard of his neighbour” . Or, to illustrate those paradoxical materials that expand when they are pushed, a balloon filled with wet sand and squeezed — try it: it’s very peculiar.

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[7.4]  555

I remember the first time I saw him, more than thirty years ago, holding forth in the physics tea room, in long, looping Frankish sentences, dense with nested parentheses but always eventually returning to the point, retailing facts — he loved facts, the particularity of real things, although he emphasised that “Physics is not just Concerning the Nature of Things, but Concerning the Interconnectedness of all the Natures of Things” — recalling facts from his prodigious memory (it has been said of him that he never forgot anything he ever heard, read or experienced), puffing sagely on the pipe he smoked then (actually he smoked matches rather than tobacco — the evidence was the pile on the floor, whose size accurately indicated the length of his discourse) — somehow, with his powerful head and the authority in his voice, he reminded me of a lion (I know the same thought came to others) ; perhaps his hair and beard contributed to that impression. Only once do I remember him being angry; that was in 1968, when I dared to enter the Senate House, then occupied by students, to discuss what they were revolting about. Otherwise, he was always calm, even when, on a physics department boat trip, when we were standing back-to-back, my one-year-old daughter leaned over my shoulder, and over his shoulder, grabbed his beard, and tugged at it. We physicists, in the department — and also the university and the city — are fortunate that he chose Bristol as his home. He was fortunate to have, for more than half a century, the support of Maita: loyal, loving, formidable, fiery support. We all miss him, but remember the way our lives were enriched by this essentially scientific man.

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556   A Half-Century of Physical Asymptotics and other Diversions

Paul Dirac published the first of his papers on "The Quantum Theory of the Electron" seventy years ago this month. The Dirac equation, derived in those papers, is one of the most important equations in physics



au I 1rac: the purest soul in physics Michael Berry EACH day, I walk past the road where Paul Adrien Maurice Eartydays

Dirac lived as a child. It is pleasant to have even this tenuous association with one of the greatest intellects of the 20th century. Paul Dirac was born at 15 Monk Road in Bishopston, Bristol, on 8 August 1902, and educated at the nearby Bishop Road Primary School. The family later moved to Cotham Road, near the University of Bristol, and in 1914 the young Dirac joined Cotham Grammar School, formerly the Merchant Venturers. Dirac was a student at Bristol University between 1918 and 1923, first in electrical engineering and then in applied mathematics. Much later, he said: "I owe a lot to my engineering training because it [taught] me to tolerate approximations. Previously to that I thought...one should just concentrate on exact equations all the time. Then I got the idea that in the actual world all our equations are only approximate. We must just tend to greater and greater accuracy. In spite of the equations being approximate, they can be beautiful." Because Dirac was a quiet man- famously quiet, indeedhe is not well known outside physics, although this is slowly changing. In 1995 a plaque to Dirac was unveiled at Westminster Abbey in London and last year Institute of Physics Publishing, which is based in Bristol, named its new building Dirac House. It is hard to give the flavour of Dirac's achievements in a non-technical article, because his work was so mathematical. He once said: ''A great deal of my work is just playing with equations and seeing what they give."

36

When Dirac went to Cambridge in 1923, the physics of matter on the smallest scales- in those days this was the physics of the atom- was in ferment. It had been known for more than a decade that the old mechanics of Newton- "classical" mechanics, as it came to be called - does not apply in the microscopic world. In particular, evidence from the light coming out of atoms seemed to indicate that some quantities that in classical mechanics can take any values are actually restricted to a set of particular values: they are "quantized". One of these quantities is the energy of the electrons in an atom. This was strange and shocking. Imagine being told that when your car accelerates from 0 to 70 miles per hour it does so in a series of jumps from one speed to another (say in steps of one thousandth of a mph), with the intermediate speeds simply not existing. It did not make sense, and yet observations seemed to demand such an interpretation. In the first attempts at a theoretical understanding, physicists tried to find the general rules for imposing these restrictions on classical mechanics- that is rules for quantization. It seemed that in order to quantize, it was necessary first to identifY those quantities that do not change when their environment is slowly altered. If a pendulum is slowly shortened, for example, it swings farther and also faster, in such a way that its energy divided by its frequency stays constant. These rules worked for simple atoms and molecules but failed for complicated ones. Dirac entered physics at the end of this baroque period. One of his first papers was an attempt at a general theory of PHYSICS WORLD

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‘Paul Dirac: The purest soul in physics’ by Berry, M. V., 1998, Physics World 11 (February), 36-40. © IOP Publishing. Reproduced with permission. All rights reserved.

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[7.5]  557 be thought of as operations. An experiment is an operation, of course, even though its result is a number. With this interpretation, it is not surprising that the order matters: we all know that putting on our socks and then our shoes gives a result different from putting on our shoes and then our socks. Dirac found the one simple rule by which a multiplied by b differed from b multiplied by a, and from which the whole of quantum mechanics follows. The same unification was soon found to include Schrodinger's way of doing quantum mechanics, where the state of a system is represented by a wave whose strength gives the probabilities of the different possible results of measurements on it. For a while this seemed completely different from the framework that Heisenberg had used, but it quickly emerged that in fact each represents Dirac's operators in a different way. It seemed miraculous.

these unchanging quantities. This is a delicate problem in classical mechanics, not solved even now. It is amazing today to read that paper. In its mathematics it is quite unlike any of Dirac's later works (for example, he brings in fine differences between rational and irrational numbers), and "pre-invents" techniques developed by other people only decades later. (I say pre-invents because the paper was forgotten until recently.) At this time the situation in atomic physics resembled that at the end of the 16th century, when the old Earth-centred astronomy had to be made ever more elaborate in the face of more accurate observations. The difficulties of the 16th and 20th centuries were resolved in the same way: by a complete shift of thought. In atomic physics this happened suddenly, in 1925, with the discovery by Heisenberg of quantum mechanics. This seemed to throw out classical mechanics completely, though it was built in as a limiting case to ensure that, on larger scales, the new mechanics agreed with more familiar experience. The quantum rules emerged automatically, but from a mathematical framework that was peculiar. For example, it involved multiplication where the result depends on the order in which the multiplication is done. It is as though 2 multiplied by 3 is different from 3 multiplied by 2. Heisenberg found this ugly and unsatisfactory. Dirac disagreed, and just a few months after Heisenberg he published the first of a series of papers in which quantum mechanics took the definitive form we still use today. The main idea is that the multiplied objects- objects that represent variables we can measure in experiments- should PHYSICS WORLD

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The Dirac equation Although brilliant- in Einstein's words, "the most logically perfect presentation of quantum mechanics" - this was a reformulation of physics that had, admittedly only just, been discovered. Dirac's main contribution came several years later, when (still in his mid-twenties) he made his most spectacular discovery. Before quantum mechanics, there had been another revolution in physics, with Einstein's discovery in 1905 that Newton's mechanics fails for matter moving at speeds approaching that of light. To get things right, time had to be regarded as no longer absolute: before-and-after had to be incorporated as a fourth co-ordinate like the familiar three spatial co-ordinates that describe side-to-side, forward-andbackward and up-and-down.Just as what is side-to-side and what is forward-and-backward change when you turn, so time gets mixed in with the other three co-ordinates when you move fast. Now, in the 1920s, came quantum mechanics, showing how Newton's mechanics failed in a different way: on microscopic scales. The question arose: what is the physics of particles that are at the same time small and moving fast? This was a practical question: the electrons in atoms are small, and they move fast enough for the new quantum mechanics to be slightly inaccurate, since it had been constructed to have as its large-scale limit Newton's mechanics rather than Einstein's. From the start people tried to construct a quantum theory concordant with relativity, but failed to overcome technical obstructions: in particular, their attempts gave probabilities that were negative numbers something that is nonsense, at least in the usual meaning of probability. The question boiled down to this: what are the right sort of quantum waves describing electrons? And what is the wave equation that governs the dynamics of these waves, while satisfying the requirements of relativity and giving sensible physical predictions? Dirac's construction of his wave equation for the electronpublished in two papers in the Proceedings if tlze Royal Society (London) in February and March 1928 - contained one of those outrageous leaps of imagination shared by all great advances in thought. He showed that the simplest wave satisfYing the requirements was not a simple number but had four components (see box overleaf). This seemed like a complication, especially to minds still reeling from the unfamiliarity of the "ordinary" quantum mechanics. Four components! Why should anybody take Dirac's theory seriously?

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558   A Half-Century of Physical Asymptotics and other Diversions The Dirac equation The Dirac equation for an electron moving in an arbitrary electromagnetic field can be written in many ways. In Dirac's original papers it is written as [Po+ 7Ao+a1(P1+ 7A1)+0-:2(P2+ 7A2) +CY.J(p3+ 7A3)+a4mc

}v=O

where p0 =ihojcot (the energy operator), e is the charge on the electron, A0 is the scalar potential associated with the electromagnetic field, cis the speed of light, a1are 4x4 matrices derived from the Pauli matrices, p1 =-ihojox is a momentum operator (p 2 =- ihoj oy, p3 =-iho/ oz), A1are the three components of the electromagnetic vector potential, m is the mass of the electron and 'I' is the wavefunction of the electron. The wavefunction 'I' is a 4x1 column vector (also known as a spin or) and each element is a function of space and time, representing the spin state (up or down) ofthe electron and the associated positron solution. As explained in the main text, the equation was able to explain the results of all of the experiments at the time, to explain the origin of electron spin and to predict the existence of antimatter. The equation can be written in more compact form. In §67 ofThe Principles of Quantum Mechanics (4th edn, Oxford University Press) it is written as {Po+ 7Ao- P1( cr, p+ 7A) - p3mc}\jf=O where p1 and p3 are 4x4 matrices (related to a1and the Pauli matrices), cr is a three-component vector of 4x4 matrices, and pis a three-component vector of momentum operators. The version ofthe equation in Westminster Abbey is even more compact and reads iy · O\jf =m\jf where y is a 4x4 matrix and is a 4-vector.

a

Dirac with Werner Heisenberg in Chicago in 1929.

First, and above all for Dirac, the logic that led to the theory was, although deeply sophisticated, in a sense beautifully simple. Much later, when someone asked him (as many must have done before) "How did you find the Dirac equation?" he is said to have replied: "I found it beautiful." Second, it agreed with precise measurements of the energies of light emitted from atoms, in particularly where these differed from ordinary (non-relativistic) quantum mechanics. There are two more reasons why the Dirac equation was compelling as the correct description of electrons. To understand them, you should realize that any great physical theory gives back more than is put into it, in the sense that as well as solving the problem that inspired its construction, it explains more and predicts new things. Before the Dirac equation, it was known that the electron spins. The spin is tiny on the scale of everyday but is always the same and plays a central part in the explanation through quantum mechanics of the rules of chemistry and the structure of matter. This spin was a property of the electron, like its mass and its electric charge, whose existence simply had to be assumed before quantum mechanics could be applied. In Dirac's equation, spin did not have to be imported: it emerged- along with the magnetism of the electron- as an inevitable property of an electron that was both a quantum particle and a relativistic one. So, electron spin was the third reason for believing Dirac's mathematically inspired equation. The fourth came from a consequence of the equation that was puzzling for a few years at first. Related to its four components was the fact that any solution of the equaticm where the electron had a positive energy had a counterpart where the energy was negative. It

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gradually became clear that these counterpart solutions could be interpreted as representing a new particle, similar to the electron but with positive rather than negative charge; Dirac called it an "anti-electron", but it soon came to be known as the positron. If an electron encounters a positron, Dirac predicted, the two charges cancel and the pair annihilates, with the combined mass transforming into radiation in the most dramatic expression of Einstein's celebrated equation Eo:= mc 2• Thus was antimatter predicted. w·hen the positron was discovered by Anderson in 1932, Dirac's immortality was assured. Dirac and Schrodinger shared the Nobel Prize for Physics in 1933. Nowadays, positrons are used every day in medicine, in PET (positron emission tomography) scanners that pinpoint interesting places in the brain (e.g. places where drugs are chemically active). These work by detecting the radiation as the positrons emitted from radioactive nuclei annihilate with ordinary electrons nearby.

Other achievements Having explained spin, it was natural for Dirac to try to explain electric charge, and in particular the mysterious fact that it is quantized: all charges found in nature are multiples of the charge on the electron. In classical electricity, there is no basis for this: charges can have any value. In 1931 Dirac gave a solution of this problem in an application of quantum mechanics so original that it still astounds us to read it today. He combined electricity with magnetism, in a return to the 18th-century notion of a magnet being a combination of north and south magnetic poles (magnetic PHYSICS WORLO

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[7.5]  559

The 1927 Solvay Congress in Brussels was attended by most of the leading physicists of the time. Dirac is in the second row, on Einstein's right.The other delegates are (left to right): front row; I Langmuir, M Planck, Madame Curie, H A Lorentz, A Einstein, P Langevin, Ch E Guye, CT R Wilson, 0 W Richardson; second row; P De bye, M Knudsen,.W L Bragg, H A Kramers, PAM Dirac, A H Compton, LV de Broglie, M Born, N Bohr; back row; A Piccard, E Henriot, P Ehrenfest, E D Herzen, T H de Dander, E Schr6dinger, EVerschaffelt, W Pauli, W Heisenberg, R H Fowler, L Brillouin.

charges), in the same way that a charged body contains positive and negative electric charges. That symmetry was lost in the 19th century with the discoveries of Oersted, Ampere and Faraday, culminating in Maxwell's synthesis of all electromagnetic and- in another example of getting out more than you put in- optical phenomena. In its place came a greater simplicity: there are only electric charges, whose movement generates magnetism (and now the motive power for much of our civilisation). The absence of isolated magnetic poles magnetic monopoles- was built into classical electromagnetism, and also the quantum mechanics that grew out of it. Dirac wondered if there was any way that magnetic monopoles could be brought into quantum physics without spoiling everything that had grown out of assuming that they did not exist. He found that this could be done, but only if the strength of the monopole (the "magnetic charge") was linked to that of the electric charge, and if both were quantized. This solved the original problem: for consistency with quantum mechanics, the existence of even one monopole anywhere in the universe would suffice to ensure that electric charge must be quantized. The implication is compelling: to account for the quantization of electricity, magnetic poles must exist. After this, Pauli referred to Dirac as "Monopoleon". Alas, no magnetic monopole has ever been found. Perhaps they do not exist, or perhaps (and there are hints of this in the theory) positive and negative monopoles are so tightly bound together that they have not been separated. Much later, Dirac referred to this theory as "just a disappointment". However, the mathematics he invented to study the monopole- combining geometry with analysis - now forms the basis of the modern theories of fundamental particles. There were two other seminal contributions to physics in those early years. I have space only to mention them. Dirac applied quantum mechanics to the way light and matter interact. This made him realize that it was necessary to quantize not only particles but the electromagnetic field itself, and led him to the first consistent theory of photons (which PHYSICS WORLD

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had been discovered several decades previously in the beginnings of quantum mechanics). This led to the elaborate and thriving quantum field theories of today. Dirac also showed how quantum waves for many electrons had to be constructed, incorporating the philosophically intriguing fact that any two of these particles are absolutely identical and so cannot be distinguished in any wa)' This produced the definitive understanding of earlier rules about how quantum mechanics explains the periodic table of the elements, and provided the basis for the themy of metals and the interior of stars. Like all scientists at the highest level, Dirac was not afraid to descend from the pinnacle and discuss more down-to-earth matters. Here are two examples. l\tfuch of our knowledge comes from light scattered by matter; in particulat~ that is how we see. In a clever stroke of lateral thinking, Dirac realized that the quantum symmetry between waves of light and waves of matter implied that it is also possible for material particles to be scattered by light, a ghostly possibility that could be observed, as he showed in 1933 in a paper with Peter Kapitza. This was observed for the first time about ten years ago and the manipulation of atoms by laser beams is now a thriving area of applied quantum mechanics- a fact recognized with a Nobel prize last year (Physics World November 1997 p5l). The second example is his Second World War work. In the Manhattan Project to develop the first nuclear bombs, it was necessary to separate isotopes of uranium. One class of methods involved the centrifugal effects of fluid streams that were made to bend. Dirac put the theory of these techniques on a firm basis, and indeed his work in this field has been described as seminal.

Dirac stories It is not my intention to write about what sort of person Dirac was. But I must mention the genre of "Dirac stories". He was so unusual in the logic and precision of his interaction with 39

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560   A Half-Century of Physical Asymptotics and other Diversions 610

351

TM- Quantum TMr>ry of tM- Electron. Pan II.

The Quantum TheO'I/J of the Electron.

I3y P. A. M. Dw.c, St. John's College, Cambridge.

By P. A. M. DJ.Uc, St. John's College, Cambridge. (Communicated by R . H . Fowler, F.R.S.-Received January 2, 1928.)

The new quantum mechanics, when applied to the problem of the structure of the atom with point-chuge electrollJ, does not give results in agreement with experiment. The discrepancies coi)Jiist of " duplexity " phenomena, the observed number of stationary ltates for an electron in an atom being twice the number given by the theory. To meet the diJ!iculty, Goudsmit and Uhlenbeck have introduced the idea of an electron with a spin angular momentum of half a quantum and a magnetic moment of one Bohr magneton, This model for the electron baa been fitted into the new mechanics by Pauli,* and Darwin, t working with an equivalent theory, has shown that it gives results in agreement with experiment for hydrogen-like spectra to the 6nt order of accuracy. The question remains as to why Nature should have chosen this particular model for the electron illJtead of beillg satisfied with the point-charge. One would like to find some incompletellesa in the previous methods of applying quantum mechanics to the point-charge electron such that, when removed, the whole of the dupluity phenomena foUow without arbitrary aesumptiollJ. In the present paper it is ahown t hat this is the case, t he incompleteness of the previous theories lying in their disagreement with relativity, or, alternatetively, with tho general trallJformation theory of quantum mechanlcs. It appears that the aimplest Hamiltonian for a point-charge electron satisfying the requirements of both relativity and the general transformation theory leads to an e:~plr.nation of all duplezity phenomena without further assumption. All the aame there iJ a great deal of truth in the spinning electron model, at least as a firat approximation. The most important failure of the model seems to be that the magnitude of the resultant orbital angular momentum of an electron movmg in ~ orbit in a central field of force is not a constsllt, as the model leads one to expect.

•a.

(Communica~d

by R. H. Fowler, F .R.S.- Received February 2, 1928.)

lD a previoua paper by the author• it ia shown that the generr.l theory of quantum mechanics together with relativity reqnire the wave equation for an electro~ moving in an arbitrary electromagnetic field of potentials, A., A 1, A., A, to be of the form

Fojl =: [Pe +~A.+ "• (P• + ~ A1) + "• (p, +;A,) +cta(Pa+-;A,)+«otnt]oj. - 0.

(1)

The ,.·, are new dynamical variables which it ia necesaary to introduce in order to satisfy the conditions of the problem. They may be regarded u describing aome internal motion of the electron, which for moet purposes may be taken to be the spin of the electron poetulated in previoua theories. We shall call them the spin variables. The ct's must satisfy the conditiollJ

"~• = 1,

..,.,.,

+ """• = 0.

(I' 74

•·l

They may conveniently be expressed in terms of six variables p1, p1, p., cr1, 01., 011 that satisfy 2

and

p,

~.'

= 1,

= 1,

p,a,

PtPt = 'Ps - - PaP1•

= a,p" , (r, t