Constraint dynamics for quantum Monte Carlo calculations

A. Sarsa, Kevin Schmidt, J. W. Moskowitz

Research output: Contribution to journalArticle

17 Scopus citations

Abstract

The inclusion of arbitrary distance constraints into diffusion Monte Carlo can be done identically to the methods already developed and used in classical simulations. With this approach, the appropriate generalized coordinates do not have to be found and sampled to simulate systems with internal degrees of freedom.

Original languageEnglish (US)
Pages (from-to)44-47
Number of pages4
JournalJournal of Chemical Physics
Volume113
Issue number1
DOIs
StatePublished - Jul 1 2000

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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