Lecture Notes on Theoretical Chemistry: Quantum Monte Carlo for Molecules (Lecture and Course Notes in Chemistry Vol 1)

Lecture Notes on Theoretical Chemistry: Quantum Monte Carlo for Molecules (Lecture and Course Notes in Chemistry Vol 1)

By: P.J. Reynolds (author), etc. (author), William A. Lester (author), B.L. Hammond (author)Hardback

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Description

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:

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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.

Product Details

  • publication date: 30/01/1991
  • ISBN13: 9789810203214
  • Format: Hardback
  • Number Of Pages: 320
  • ID: 9789810203214
  • ISBN10: 9810203217

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