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The last decade has been marked by a rapid growth in statistical mechanics, especially in connection with the physics and chemistry of the fluid state. Our understanding in these areas has been considerably advanced and enriched by the discovery of new techniques and the sharpening of old techniques, ranging all the way from computer simulations to mode-mode coupling theories. Statistical mechanics brings together under one roof a broad spectrum of mathematical methods. The aim of these volumes is to provide a didactic treatment of those topics that are most useful for the study of problems of current interest to theoretical chemists. The emphasis throughout is on the techniques themselves and not on reviewing the enormous literature in statistical mechanics. Each author was charged with the following task. Given N pages, (a) pose the problem, (b) present those aspects of the particular technique that cJearly illustrate its internal workings, (c) apply the technique to the solUlion of several illustrative examples, and (d) write the chapter so that it will enable the reader to approach key citations to the literature intelligently. These volumes are designed for graduate students and research workers in statistical mechanics. Nevertheless, they should be useful in other areas as weIl.
Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics
Inbunden, Engelska, 1998
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The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.