A comparative analysis of pair equations for the H2 molecule

Research output: Contribution to journalArticle

27 Scopus citations

Abstract

The perturbation contributions to the correlation energy of the H2 molecule are analyzed. This analysis is based on the computer solutions of several two‐electron equations in the Gaussian geminal basis set. The pair equations differ by the choice of the two‐electron interaction potential which may result from distinct infinite summations of correlation diagrams in Rayleigh–Schrödinger perturbation theory.

Original languageEnglish (US)
Pages (from-to)265-270
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume13
Issue number3
DOIs
StatePublished - 1978
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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