Consistent treatment of correlation effects in molecular dissociation studies using randomly chosen configurations

Research output: Journal PublicationArticlepeer-review

22 Citations (Scopus)

Abstract

A means of performing configuration interaction calculations by randomly generating expansion vectors has recently been proposed and referred to as Monte Carlo configuration interaction (MCCI). To check the ability of the approach to accurately describe molecular dissociation, a comparison with benchmark full configuration interaction (FCI) calculations is presented. The results of the comparison indicate that the MCCI approach can consistently treat correlation effects in molecular dissociation studies.

Original languageEnglish
Pages (from-to)7996-8003
Number of pages8
JournalJournal of Chemical Physics
Volume103
Issue number18
DOIs
Publication statusPublished - 1995
Externally publishedYes

ASJC Scopus subject areas

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

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