Recent Advances In Quantum Monte Carlo Methods (Recent Advances In Computational Chemistry)

Authors: William A., Jr. Lester
Publisher: World Scientific Pub Co Inc
Keywords: recent, advances, methods, computational, monte, quantum, carlo
Pages: 235
Published: 1997-03
Language: International
Category: Quantum Chemistry, Physical & Theoretical, Chemistry, Science,
ISBN-10: 9810230095     ISBN-13: 9789810230098
Binding: Hardcover
List Price: 78.00 USD
The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set "ab initio" methods in cases where high accuracy computation of atomic and molecular properties is desired. This volume focuses on recent advances in this area. QMC as used here refers to methods that directly solve the Schrodinger equation, for example, diffusion and Green's function Monte Carlo, as well as variational Monte Carlo. The latter is an approach to computing atomic and molecular properties by the Monte Carlo method that has fundamental similarities to basis set methods with the exception that the limitation to one-particle basis functions to facilitate integral evaluation is avoided. This feature makes possible the consideration of many-body wave functions containing explicitly interparticle distances - a capability common to all variants of QMC.

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