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Monte Carlo methods in ab initio quantum chemistry

Author: B L Hammond; W A Lester; Peter J Reynolds
Publisher: Singapore ; River Edge, NJ : World Scientific, ©1994.
Series: World scientific lecture and course notes in chemistry, v. 1.
Edition/Format:   Print book : EnglishView all editions and formats
Database:WorldCat
Summary:

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  Read more...

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Document Type: Book
All Authors / Contributors: B L Hammond; W A Lester; Peter J Reynolds
ISBN: 9810203217 9789810203214 9810203225 9789810203221
OCLC Number: 29594695
Description: xiv, 304 pages : illustrations ; 23 cm.
Contents: 1. Introduction to Monte Carlo Methods --
2. Variational Methods --
3. Green's Function Methods --
4. Treating Fermions --
5. Variational Trial Functions --
6. Excited States --
7. Electronic Properties --
8. Derivatives and Finite Differences --
9. Heavy Atoms --
A: Atomic Units --
B: Evaluating the Trial Function --
C: Sample Diffusion Monte Carlo Program.
Series Title: World scientific lecture and course notes in chemistry, v. 1.
Responsibility: B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds.

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