Quantum Monte Carlo Methods in Physics and Chemistry (Google eBook)

Front Cover
M.P. Nightingale, Cyrus J. Umrigar
Springer Science & Business Media, 1999 - Science - 467 pages
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In recent years there has been a considerable growth in interest in Monte Carlo methods, and quantum Monte Carlo methods in particlular. Clearly, the ever-increasing computational power available to researchers, has stimulated the development of improved algorithms, and almost all fields in computational physics and chemistry are affected by their applications. Here we just mention some fields that are covered in the lecture notes contained in this volume, viz. electronic structure studies of atoms, molecules and solids, nuclear structure, and low- or zero-temperature studies of strongly-correlated quantum systems, both of the continuum and lattice variety, and cooperative phenomena in classical systems. Although each area of application may have its own peculiarities, requiring specialized solutions, all share the same basic methodology. It was with the intention of bringing together researchers and students from these various areas that the NATO Advanced Study Institute on Quantum Monte Carlo Methods in Physics and Chemistry was held at Cornell University from 12 to 24 July, 1998. This book contains material presented at the Institute in a series of mini courses in quantum Monte Carlo methods. The program consisted of lectures predominantly of a pedagogical nature, and of more specialized seminars. The levels varied from introductory to advanced, and from basic methods to applications; the program was intended for an audience working towards the Ph.D. level and above. Despite the essentially pedagogic nature of the Institute, several of the lectures and seminars contained in this volume present recent developments not previously published.
  

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Contents

Basics quantum Monte Carlo and statistical mechanics
1
Stochastic dagonalization
37
Worldline quantum Monte Carlo
65
Variational Monte Carlo in solids
101
Variational Monte Carlo basics and applications to atoms and molecules
129
Calculations of exchange frequenceis with path integral Monte Carlo solid 3 He adsorbed on graphite
161
Static response of homogeneous quantum fluids by diffusion Monte Carlo
183
Equilibrium and dynamical path integral methods an introduction
213
Quantum Monte Carlo in nuclear physics
287
Reptation quantum Monte Carlo
313
Quantum Monte Carlo for lattice fermions
343
Phase separation in the 2D Hubbard model a challenging application of fixednode QMC
375
Constrained path Monte Carlo for fermions
399
Serial and parallel random number generation
425
Fixednode DMC for fermions on a lattice application to doped fullerides
447
Index
463

Diffusion Monte Carlo
247
Fermion Monte Carlo
263

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Page iii - Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853, USA A three-dimensional dynamic trap for confining a collisional neutral gas is described.
Page ii - Kluwer Academic Publishers Kluwer Academic Publishers Kluwer Academic Publishers IOS Press IOS Press The Partnership Sub-Series incorporates activities undertaken in collaboration with NATO's Partners in the Euro-Atlantic Partnership Council - countries of the CIS and Central and Eastern Europe - in Priority Areas of concern to those countries. NATO-PCO-DATA BASE The NATO Science Series continues the series of books published formerly in the NATO ASI Series. An electronic index to...
Page 4 - In general, the result of a measurement is only an approximation or estimate of the value of the specific quantity subject to measurement, that is, the measurand, and thus the result is complete only when accompanied by a quantitative statement of its uncertainty.
Page ii - IOS Press The Partnership Sub-Series incorporates activities undertaken in collaboration with NATO's Partners in the Euro-Atlantic Partnership Council - countries of the CIS and Central and Eastern Europe - in Priority Areas of concern to those countries. NATO-PCO-DATA BASE The NATO Science Series continues the series of books published formerly in the NATO ASI Series. An electronic index to the NATO ASI Series provides full bibliographical references (with keywords and/or abstracts) to more than...