Description

Book Synopsis
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:

Table of Contents
Review of ab initio quantum chemistry; introduction to Monte Carlo methods; the variational Monte Carlo method; quantum Monte Carlo; exact Green's function methods; released node methods; excited states; properties other than energy; determination of interaction potentials, stationary geometries, energy derivatives; valence-electron and acceleration methods.

Monte Carlo Methods In Ab Initio Quantum

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A Paperback / softback by Brian L Hammond, William A Lester, P J Reynolds

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    View other formats and editions of Monte Carlo Methods In Ab Initio Quantum by Brian L Hammond

    Publisher: World Scientific Publishing Co Pte Ltd
    Publication Date: 01/03/1994
    ISBN13: 9789810203221, 978-9810203221
    ISBN10: 9810203225
    Also in:
    Quantum and theoretical chemistry

    Description

    Book Synopsis
    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:

    Table of Contents
    Review of ab initio quantum chemistry; introduction to Monte Carlo methods; the variational Monte Carlo method; quantum Monte Carlo; exact Green's function methods; released node methods; excited states; properties other than energy; determination of interaction potentials, stationary geometries, energy derivatives; valence-electron and acceleration methods.

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