Lecture Notes on Theoretical Chemistry

By: Brian L Hammond, William A Lester, P J Reynolds

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Hardcover | 1 December 1993

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Hardcover
320 Pages

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22.86 x 15.24 x 1.91

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This book presents the basic theory and applications 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 special features of this book are: 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; and commentary on the important features that distinguish this stochasic approach from ab initio methods.

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You Can Find This Book In

Non-Fiction Science Chemistry Physical Chemistry Quantum & Theoretical Chemistry Booktopia Publisher Services World Scientific Publishing Inorganic Chemistry

Preface
Introduction to Monte Carlo Methods	p. 1
Variational Methods	p. 45
Green's Function Methods	p. 77
Treating Fermions	p. 131
Variational Trial Functions	p. 155
Excited States	p. 181
Electronic Properties	p. 199
Derivatives and Finite Differences	p. 221
Heavy Atoms	p. 241
A: Atomic Units	p. 271
B: Evaluating the Trial Function	p. 273
C: Sample Diffusion Monte Carlo Program	p. 281
D: Bibliography	p. 287
Table of Contents provided by Blackwell. All Rights Reserved.

Lecture Notes on Theoretical Chemistry

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Hardcover

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How to return your order

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