Quantum Monte Carlo methods in chemistry

David M. Ceperley, Lubos Mitas

Research output: Contribution to journalArticle

Abstract

We report on recent progress in the development of quantum Monte Carlo methods, including variational, diffusion, and path-integral Monte Carlo. The basics of these methods are outlined together with descriptions of trial functions, treatment of atomic cores, and remaining problems, such as fixed-node errors. The recent results for atoms, molecules, clusters, and extended systems are presented. The advantages, achievements, and perspectives demonstrate that quantum Monte Carlo is a very promising approach for calculating properties of many-body quantum systems.

Original languageEnglish (US)
Pages (from-to)1-38
Number of pages38
JournalAdvances in Chemical Physics
Volume93
StatePublished - Dec 1 1996

ASJC Scopus subject areas

  • Computer Science(all)
  • Bioengineering
  • Chemistry(all)
  • Chemical Engineering(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Engineering(all)
  • Physics and Astronomy (miscellaneous)
  • Physics and Astronomy(all)

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