Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions

C. E. Scheu, Donald B. Kinghorn, Ludwik Adamowicz

Research output: Contribution to journalArticle

30 Scopus citations

Abstract

The correlated Gaussian basis function is augmented by the addition of premultiplying factors that are powers of the squared internuclear distance. Results of calculations on the LiH molecule are discussed.

Original languageEnglish (US)
Pages (from-to)3393-3397
Number of pages5
JournalJournal of Chemical Physics
Volume114
Issue number8
DOIs
StatePublished - Feb 22 2001

ASJC Scopus subject areas

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

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