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While basic features of polarons were well recognized a long time
ago and have been described in a number of review papers and
textbooks, interest in the role of electron-phonon interactions and
polaron dynamics in di?- ent materials has recently gone through a
vigorous revival. Electron-phonon interactions have been shown to
be relevant in many inorganic and organic semiconductors and
polymers, colossal magnetoresistance oxides, and tra- port through
nanowires and quantum dots also often depends on vibronic
displacements of ions. These interactions presumably play a role in
hi- temperature superconductors as well. The continued interest in
polarons extends beyond the physical description of advanced
materials. The ?eld has been a testing ground for analytical,
semi-analytical, and numerical techniques, such as path integrals,
strong-coupling perturbation expansion, advanced variational
methods, exact diagonalization, Quantum Monte Carlo, and other
techniques. This book reviews some recent developments in the ?eld
of polarons, starting with the basics and covering a number of
active directions of research. Single- and multipolaron theories
have o?ered more insight into colossal magnetoresistance and in a
broad spectrum of ph- ical properties of structures with reduced
dimension and dimensionality such as transport, optical absorption,
Raman scattering, photoluminescence, magneto-optics, etc. While
nobody - at present - has a ?nal theory of hi- temperature
superconductivity, we discuss one alternative (polaronic) route. We
have bene?ted from discussions with many experts in the ?eld.
The Advanced Study Institute on "Theoretical Aspects and New
Developments in Magneto-Optics" was held at the University of
Antwerpen (R.U.C.A.), from July 16 to July 28, 1979. The Institute
was sponsored by NATO. Co-sponsors were: Agfa-Gevaert (Belgium),
A.S.L.K. (Belgium), Bell Telephone Mfg. CO. (Belgium), Esso
Belgium, Generale Bankmaatschappij (Belgium), General Motors
(Belgium), I.B.M. (Belgium), Kredietbank (Belgium), Metallurgie
Hoboken-Over pelt (Belgium), National Science Foundation (U.S.A). A
total of 60 lecturers and participants attended the Institute.
Scope of the Institute The magneto-optic phenomena are due to the
change of the polarizability of a substance as a result of the
splitting of the quantized energy bands. Most of these phenomena
were discovered during the second half of this century. The
understanding of the magneto-optical effects of all kinds, however,
was brought by the advent of quantum mechanics, and since then
important progress has been made in many fields of experimental
methods and techniques."
The International Workshop on "The Use of Supercomputers in
Theoretical Science" took place on January 24 and 25, 1991, at the
University of Antwerp (UIA), Antwerpen, Belgium. It was the sixth
in a series of workshops, the fIrst of which took place in 1984.
The principal aim of these workshops is to present the state of the
art in scientific large-scale and high speed-computation.
Computational science has developed into a third methodology
equally important now as its theoretical and experimental
companions. Gradually academic researchers acquired access to a
variety of supercomputers and as a consequence computational
science has become a major tool for their work. It is a pleasure to
thank the Belgian National Science Foundation (NFWO-FNRS) and the
Ministry of ScientifIc Affairs for sponsoring the workshop. It was
organized both in the framework of the Third Cycle "Vectorization,
Parallel Processing and Supercomputers" and the "Governemental
Program in Information Technology." We also very much would like to
thank the University of Antwerp (Universitaire Instelling Antwerpen
-VIA) for fInancial and material support. Special thanks are due to
Mrs. H. Evans for the typing and editing of the manuscripts and for
the preparation of the author and subject indexes. J.T. Devreese
P.E. Van Camp University of Antwerp July 1991 v CONlENTS High
Perfonnance Numerically Intensive Applications on Distributed
Memory Parallel Computers .................... . F.W. Wray Abstract
......................................... .
The Advanced Study Institute on "Path Integrals and Their
Applications in Quantum, Statistical, and Solid State Physics" was
held at the University of Antwerpen (R.U.C.A.), July 17-30, 1977.
The Institute was sponsored by NATO. Co-sponsors were: A.C.E.C.
(Belgium), Agfa-Gevaert (Belgium), l'Air Li~uide BeIge (Belgium),
Be1gonucleaire (Belgium), Bell Telephone Mfg. Co. (Belgium),
Boelwerf (Belgium), Generale BankmaatschappiJ (Belgium), I.B.M.
(Belgium), Kredietbank (Belgium), National Science Foundation
(U.S.A.), Siemens (Belgium). A total of 100 lecturers and partici-
pants attended the Institute. The development of path (or
functional) integrals in relation to problems of stochastic nature
dates back to the early 20's. At that time, Wiener succeeded in
obtaining the fundamental solution of the diffusion e~uation using
Einstein's joint probability of finding a Brownian particle in a
succession of space intervals during a corresponding succession of
time intervals. Dirac in the early 30's sowed the seeds of the path
integral formulation of ~uantum mecha- nics. However, the major and
decisive step in this direction was taken with Feynman's works in
~uantum and statistical physics, and quantum electrodynamicso The
applications now extend to areas such as continuous mechanics, and
recently functional integration methods have been employed by
Edwards for the study of polymerized matter.
The Advanced Study Institute on "Theoretical Aspects and New
Developments in Magneto-Optics" was held at the University of
Antwerpen (R.U.C.A.), from July 16 to July 28, 1979. The Institute
was sponsored by NATO. Co-sponsors were: Agfa-Gevaert (Belgium),
A.S.L.K. (Belgium), Bell Telephone Mfg. CO. (Belgium), Esso
Belgium, Generale Bankmaatschappij (Belgium), General Motors
(Belgium), I.B.M. (Belgium), Kredietbank (Belgium), Metallurgie
Hoboken-Over pelt (Belgium), National Science Foundation (U.S.A). A
total of 60 lecturers and participants attended the Institute.
Scope of the Institute The magneto-optic phenomena are due to the
change of the polarizability of a substance as a result of the
splitting of the quantized energy bands. Most of these phenomena
were discovered during the second half of this century. The
understanding of the magneto-optical effects of all kinds, however,
was brought by the advent of quantum mechanics, and since then
important progress has been made in many fields of experimental
methods and techniques.
The International Workshop on "The Use of Supercomputers in
Theoretical Science" took place on January 24 and 25, 1991, at the
University of Antwerp (UIA), Antwerpen, Belgium. It was the sixth
in a series of workshops, the fIrst of which took place in 1984.
The principal aim of these workshops is to present the state of the
art in scientific large-scale and high speed-computation.
Computational science has developed into a third methodology
equally important now as its theoretical and experimental
companions. Gradually academic researchers acquired access to a
variety of supercomputers and as a consequence computational
science has become a major tool for their work. It is a pleasure to
thank the Belgian National Science Foundation (NFWO-FNRS) and the
Ministry of ScientifIc Affairs for sponsoring the workshop. It was
organized both in the framework of the Third Cycle "Vectorization,
Parallel Processing and Supercomputers" and the "Governemental
Program in Information Technology." We also very much would like to
thank the University of Antwerp (Universitaire Instelling Antwerpen
-VIA) for fInancial and material support. Special thanks are due to
Mrs. H. Evans for the typing and editing of the manuscripts and for
the preparation of the author and subject indexes. J.T. Devreese
P.E. Van Camp University of Antwerp July 1991 v CONlENTS High
Perfonnance Numerically Intensive Applications on Distributed
Memory Parallel Computers .................... . F.W. Wray Abstract
......................................... .
The 1984 Advanced Study Institute on "Electronic Structure,
Dynamics and Quantum Structural Properties of Condensed Matter"
took place at the Corsendonk Conference Center, close to the City
of Antwerpen, from July 16 till 27, 1984. This NATO Advanced Study
Institute was motivated by the research in my Institute, where, in
1971, a project was started on "ab-initio" phonon calculations in
Silicon. I~ is my pleasure to thank several instances and people
who made this ASI possible. First of all, the sponsor of the
Institute, the NATO Scientific Committee. Next, the co-sponsors:
Agfa-Gevaert, Bell Telephone Mfg. Co. N.V., C & A, Esso
Belgium*, CDC Belgium, Janssens Pharmaceutica, Kredietbank and the
Scientific Office of the U.S. Army. Special thanks are due to Dr.
P. Van Camp and Drs. H. Nachtegaele, who, over several months,
prepared the practical aspects of the ASI with the secretarial help
of Mrs. R.-M. Vandekerkhof. I also like to. thank Mrs. M. Cuyvers
who prepared and organized the subject and material index and Mrs.
H. Evans for typing-assist ance. I express particular gratitude to
Mrs. F. Nedee, who, like in 1981 and 1982, has put the magnificent
Corsendonk Conference Center at our disposal and to Mr. D. Van Der
Brempt, Director of the Corsendonk Conference Center, for the
efficient way in which he and his staff took care of the practical
organization at the Conference Center.
The 1986 Advanced Study Institute on "The Physics of the two-Dimen
sional Electron Gas" took place at the Conference Centre liTer
Helme," close to Oostende (Belgium), from June 2 till 16, 1986. We
were motivated to organize this Advanced Study Institute in view of
the recent experimental and theoretical progress in the study of
the two-dimensional electron gas. An additional motivation was our
own theore tical interest in cyclotron resonance in two-dimensional
electron systems at our institute. It is my pleasure to thank
several instances and people who made this Advanced Study Institute
possible. First of all, the sponsor of the Advanced Study
Institute, the NATO Scientific Committee. Furthermore, the co
sponsors: Agfa Gevaert, Bell Telephone Mfg. Co. N.V., Burroughs
Belgium. Control Data. Digital Equipment Corporation, Esso Belgium.
European Research Office (USA). Kredietbank. National Science
Foundation (USA). Special thanks are due to the members of the
Program Committee and the members of the Organizing Committee. I
would also like to thank Mrs. H. Evans for typing assistance."
The Advanced Study Institute on 'Elementary Excitations in Solids,
Molecules, and Atoms' was held at the University of Antwerp
(U.I.A.) from June 18th till June 30th 1973. The In stitute was
sponsored by NATO. Co-sponsors were: Agfa-Gevaert N.V. (Mortsel -
Belgium), Bell Telephone Mfg. Co. (Antwerp Belgium), the National
Science Foundation (Washington D.C. - U.S.A.) and the University of
Antwerp (U.I.A.). A total of 120 lecturers and participants
attended the Institute. Over the last few years, substantial
progress has been made in the description of the elementary
excitations of the elec tronic and vibrational systems and their
interactions. Parallel with this, the experimentalists have
obtained outstanding re sults, partly as a result of availability
of coherent light sour ces from the far infrared through the
visible region, and partly because of the availability of
synchrotron radiation sources in the soft X-ray region. The results
of today will lead to fur ther progress over the next years. It was
the purpose of this NATO Advanced Study Institute to present astate
of the art, namely a survey of experiment and theory."
These volumes contain the invited and contributed talks of the
first general Conference of the Condensed Matter Division of the
European Physical Society, which took place at the campus of the
University of Antwerpen (Universitaire Instelling Antwerpen) from
April 9 till 11, 1980. The invited talks give a broad perspective
of the current state in Europe of research in condensed matter
physics. New developments and advances in experiments as well as
theory are reported for 28 topics. Some of these developments, such
as the recent stabilization of mono-atomic hydrogen, with the
challenging prospect of Bose condensation, can be considered as
major break throughs in condensed matter physics. Of the 65 invited
lecturers, 54 have submitted a manuscript. The remaining talks are
published as abstracts. The contents of this first volume consists
of 9 plenary papers. Among the topics treated in these papers are:
- electronic structure computations of iron the density functional
theory hydrogen in amorphous si topologically disordered materials
nuclear antiferromagnetism stabilization of mono-atomic hydrogen
gas covalent and metallic glasses nonlinear excitations in
ferroelectrics."
These volumes contain the invited and contributed talks of the
first general Conference of the Condensed Matter Division of the
European Physical Society, which took place at the campus of the
University of Antwerpen (Universitaire Instelling Antwerpen) from
April 9 till 11, 1980. The invited talks give a broad perspective
of the current state in Europe of research in condensed matter
physics. New developments and advances in experiments as well as
theory are reported for 28 topics. Some of these developments, such
as the recent stabilization of mono-atomic hydrogen, with the
challenging prospect of Bose condensation, can be considered as
major break throughs in condensed matter physics. Of the 65 invited
lecturers, 54 have submitted a manuscript. The remaining talks are
published as abstracts. The contents of this first volume consists
of 9 plenary papers. Among the topics treated in these papers are:
- electronic structure computations of iron the density functional
theory hydrogen in amorphous Si topologically disordered materials
nuclear antiferromagnetism stabilization of mono-atomic hydrogen
gas covalent and metallic glasses nonlinear excitations in
ferroelectrics.
These volumes contain the invited and contributed talks of the
first general Conference of the Condensed Matter Division of the
European Physical Society, which took place at the campus of the
University of Antwerpen
The 1982 Antwerp Advanced Study Institute on "Physics of Polarons
and Excitons in Polar Semiconductors and Ionic Crystals" took place
from July 26 till August 5 at the Conference Center Priorij Corsen
donk, a restored monastery, close to the city of Antwerp. It was
the seventh Institute in our series which started in 1971. This
Advanced Study Institute, which was held fifty years after Landau
introduced the polaron concept, can be considered as the third
major international symposium devoted to the physics of pola rons.
The first such symposium took place in St. Andrews in 1962 under
the title "Polarons and Excitons" [I]. The early theoretical
developments related to polarons were reviewed in depth at this
meeting; the derivation of the polaron hamiltonian by Frohlich, the
Frohlich weak coupling theory (and the equivalent weak coupling
canonical transformations), the Landau-Pekar and Bogolubov strong
coupling theory and the Feynman polaron model formulated with his
path integrals. The main emphasis was on the polaron self-energy,
effective mass and mobility. From the experimental side the first
evidence for polaron effects was provided by the pioneering
cyclotron and mobility measurements o~ the silver halides by F. e.
Brown and his group. Also the significance of polaron effects for
the under standing of excitons in ionic crystals was a central
topic in St. Andrews. The second Advanced Study Institute
concerning polaron physics was organized at the University of
Antwerp (R. U. C. A.
Although the problem of a metal in one dimension has long been
known to solid-state physicists, it was not until the synthesis of
real one-dimensional or quasi-one-dimensional systems that this
subject began to attract considerable attention. This has been due
in part to the search for high temperature superconductivity and
the possibility of reaching this goal with quasi-one-dimensional
substances. A period of intense activity began in 1973 with the
report of a measurement of an apparently divergent conduc tivity
peak in TfF-TCNQ. Since then a great deal has been learned about
quasi-one-dimensional conductors. The emphasis now has shifted from
trying to find materials of very high conductivity to the many
interesting problems of physics and chemistry involved. But many
questions remain open and are still under active investigation.
This book gives a review of the experimental as well as theoretical
progress made in this field over the last years. All the chapters
have been written by scientists who have established themselves as
experts in theoreti cal and experimental solid-state physics. The
book is intended to be of use both to students and researchers
entering the field as well as to more advanced physicists. The
wealth of ideas and information it contains ought to be useful to
anyone interested in quasi-one-dimensional systems, organic solids,
or the search for novel conduction and superconduction mechanisms.
The editors are very grateful to the authors for their
collaboration in this book."
The International Workshop on "The Use of Supercomputers in
Theoretical Science" took place on November 29 and 30, 1989 at the
University of Antwerp (UIA), Antwerpen, Belgium. It was the fifth
in a series of workshops, the first of which took place in 1984.
The principal aim of these workshops is to present the
state-of-the-art in scientific large scale and high speed
computation. Computational science has developed into a third
methodology equally important now as its theoretical and
experimental companions. Gradually academic researchers acquired
access to a variety of supercomputers and as a consequence
computational science has become a major tool for their work. It is
a pleasure to thank the Belgian National Science Foundation
(NFWO-FNRS) and the Ministry of Scientific Affairs for sponsoring
the workshop. It was organized both in the framework of the Third
Cycle "Vectorization, Parallel Processing and Supercomputers" and
the "Governemental Program in Information Technology"~ We also very
much would like to thank the University of Antwerp (Universitaire
Instelling Antwerpen - UIA) for financial and material support.
Special thanks are due to Mrs. H. Evans for the typing and editing
of the manuscripts and for the preparation of the author and
subject index.
The International Workshops on "The Use of Supercomputers in
Theoretical Science" have become a tradition at the Univer sity of
Antwerp, Belgium. The first one took place in 1984. This volume
combines the proceedings of the second work shop (December 12,
1985), of the third (June 16, 1987) and of the fourth (June 9,
1988). The principal aim of the International Workshops is to
present the state-of-the-art in scientific high speed computa tion.
Indeed, during the past ten years computational science has become
a third methodology with merits equal to the theo retical and
experimental sciences. Regretfully, access to supercomputers
remains limited for academic researchers. None theless,
supercomputers have become a major tool for scientists in a wide
variety of scientific fields, and they lead to a realistic solution
of problems that could not be solved a decade ago. It is a pleasure
to thank the Belgian National Science Foundation (NFWO-FNRS) for
the sponsoring of all the workshops. These workshops are organized
in the framework of the Third Cy cle "Vectorization, Parallel
Processing and Supercomputers," which is also funded by the
NFWO-FNRS. The other sponsor I want to thank is the University of
Antwerp, where the workshops took place. The University of Antwerp
(UIA), together with the NFWO-FNRS, are also the main sponsors of
the ALPHA-project, which gives the scientists of Belgium the
opportunity to obtain an easy supercomputer connection."
From July 20 till 31, 1981, the Advanced Study Institute on
"Electron Correlations in Solids, Molecules and Atoms," sponsored
by NATO, was held at the University of Antwerpen (U.I.A.), in the
Conference Center Corsendonk. In the last few years, the problem of
many-electron correlations has gained renewed attention, due to
recent experimental and theoretic al developments. From the
theoretical point of view, more sophisticated treatments of the
homogeneous electron gas model evolved, including dynamical aspects
of the electron correlation in the dielectric response.
Furthermore, the homogeneous electron gas, which served as a model
for simple metals, was extended to include spin- and charge-density
waves and phasons. The concept of elementary excitations too was
introduced not only in perfectly ordered metallic crystals, but
also in magnetic alloys, in liquid metals and alloys, in
semiconductors, and even in molecules and atoms. Fairly accurate
quantitative calculations of these effects recently became
possible, ranging from plasmon frequencies in atoms, over
dielectric response of semiconduc tors and resistivity in magnetic
alloys to electron-hole liquids and their phase separation. The
recent technological evolution allowed for more accurate
measurements in previously unaccessible domains, e.g. X-ray scatter
ing and fast electron energy loss at large wavevector. Moreover,
these new developments opened new perspectives in physics,
accompany ing or even introducing the new concepts which also
evolved in the theory."
The International Workshop on "The Use of Super computers in
Theoretical Science" took place from July 30 till August 1, 1984,
at the Conference Center of the "Priorij Corsendonk", close to the
city of Antwerpen, Belgium. During the past decade computational
science has developed itself to a third methodology besides the
experimental and theoretical sciences. This remarkable evolution
was only possible due to a drastic increase of the computational
power of present day computers. Indeed, computational physics and
chemistry as such is certainly not new, but it was only during the
past ten years or so that realistic problems could be solved
numerically to a sufficient degree of accuracy. During this
workshop the state-of-the-art in high speed computation was
presented by a team of lecturers who are well known for their
competence in this field. It is a pleasure to thank several
organizations and companies who made this workshop possible. First
of all, the main sponsors: the Belgian National Science Found ation
(NFWO-FNRS) and the "Universitaire Instelling Ant werpen". Next,
the co-sponsors: Agfa-Gevaert N. V., Control Data Belgium and the
Belgian Ministry of Education. Special thanks are due to Dr. P.E.
Van Camp and Drs. H. Nachtegaele for the practical organization of
this workshop. I would also like to thank Mrs. H. Evans for typing
the manuscripts and for preparing the author and subject index. v
Last but not least I express my gratitude to Mr.
This volume contains of the proceedings of the CECAM {Centre
d'Etudes de Calcul Atomique et Moleculaire} workshop on "Ab Initio
Calculation of Phonon Spectra" which took place at the campus of
the University of Antwerpen (Universitaire Instelling Antwerpen) on
June 4 and 5, 1981. This workshop was sponsored by the
Universitaire Instelling Antwerpen, by the Belgian "Nationaal Fonds
voor Weten- schappelijk Onderzoek" and the Belgian Ministry of
Education and Cultural Affairs. Although the calculation of phonon
spectra in a solid has long been known to solid state physicists,
it is only in the last decade that a macroscopic theory which
treats the response of the electrons to the vibrations of the ions
has been developed in a successful way. In the case of
semiconductors numerical calculations of phonon frequencies were
not performed until very recently due to the complex- ity of the
problem. The correct treatment of the electron in the crystal has
also led to an investigation of electron-phonon inter- action,
including many body effects. Success has been achieved in the
calculation of phonon anomalies and the coupling parameters in
transition metals. In the case of surfaces the conductions for the
appearance of electronic instabilities and the coupling of the
resulting charge density wave to the lattice have been studied.
While basic features of polarons were well recognized a long time
ago and have been described in a number of review papers and
textbooks, interest in the role of electron-phonon interactions and
polaron dynamics in di?- ent materials has recently gone through a
vigorous revival. Electron-phonon interactions have been shown to
be relevant in many inorganic and organic semiconductors and
polymers, colossal magnetoresistance oxides, and tra- port through
nanowires and quantum dots also often depends on vibronic
displacements of ions. These interactions presumably play a role in
hi- temperature superconductors as well. The continued interest in
polarons extends beyond the physical description of advanced
materials. The ?eld has been a testing ground for analytical,
semi-analytical, and numerical techniques, such as path integrals,
strong-coupling perturbation expansion, advanced variational
methods, exact diagonalization, Quantum Monte Carlo, and other
techniques. This book reviews some recent developments in the ?eld
of polarons, starting with the basics and covering a number of
active directions of research. Single- and multipolaron theories
have o?ered more insight into colossal magnetoresistance and in a
broad spectrum of ph- ical properties of structures with reduced
dimension and dimensionality such as transport, optical absorption,
Raman scattering, photoluminescence, magneto-optics, etc. While
nobody - at present - has a ?nal theory of hi- temperature
superconductivity, we discuss one alternative (polaronic) route. We
have bene?ted from discussions with many experts in the ?eld.
The interviews in this book span over twenty years, over two
decades. For years I went with my recording device to tournaments
like Wijk aan Zee, Frankfurt Chess Classic, Hoogeveen... often to
interview the interesting player of the moment in some hotel bar or
quiet interview room. 31 out of the 35 interviews came about this
way. That is... until March 2020, when out of nowhere, covid broke
out. Suddenly chess tournaments were no longer held and a live
interview with chess players was no longer possible.
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