QUANTUM MONTE-CARLO TECHNIQUES - CHEMICAL APPLICATIONS

Authors
CHAKRAVARTY C
Citation
C. Chakravarty, QUANTUM MONTE-CARLO TECHNIQUES - CHEMICAL APPLICATIONS, Current Science, 69(9), 1995, pp. 739-746
Citations number
63
Categorie Soggetti
Multidisciplinary Sciences
Journal title
Current Science → ACNP
ISSN journal
00113891
Volume
69
Issue
9
Year of publication
1995
Pages
739 - 746
Database
ISI
SICI code
0011-3891(1995)69:9<739:QMT-CA>2.0.ZU;2-2
Abstract
Quantum Monte Carlo (QMC) methods are stochastic simulation methods fo r quantum many-body systems. Here we provide an overview of QMC method s designed for simulation of atomic and molecular systems, and discuss main ideas behind the variational, diffusion and path integral QMC me thods. We also review application of these techniques to some problems of interest in chemistry.