Monte Carlo methods in ab initio quantum chemistry:

This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab i...

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Bibliographic Details
Main Author: Hammond, B. L. (Author)
Format: Electronic eBook
Language:English
Published: Singapore World Scientific Pub. Co. c1994
Series:World Scientific lecture and course notes in chemistry v. 1
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Online Access:FHN01
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Summary:This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential. Some distinguishing features of this book are: Clear exposition of the basic theory at a level to facilitate independent study; Discussion of the various versions of the theory: diffusion Monte Carlo, Green's function Monte Carlo, and release node Monte Carlo; Commentary on the important features that distinguish this stochastic approach from ab initio methods
Physical Description:xiv, 304 p. ill
ISBN:9789814317245

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