Correlated Monte Carlo wave functions for some cations and anions of the first row atoms

J. W. Moskowitz, Kevin Schmidt

Research output: Contribution to journalArticlepeer-review

52 Scopus citations

Abstract

We applied the variational Monte Carlo method to the computation of the correlation energy for several first row cations (Li+ through Ne +) and anions (B- through F-). In addition, we obtained estimates of their ionization potentials and electron affinities. The ionization potentials differ from the experimental results on the average by 0.11 eV and the electron affinities differ on the average by 0.07 eV.

Original languageEnglish (US)
Pages (from-to)3382-3385
Number of pages4
JournalThe Journal of chemical physics
Volume97
Issue number5
DOIs
StatePublished - 1992

ASJC Scopus subject areas

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

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