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

28 Citations (Scopus)

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
JournalThe Journal of Chemical Physics
Volume114
Issue number8
DOIs
StatePublished - Feb 22 2001

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Molecules
molecules

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions. / Scheu, C. E.; Kinghorn, Donald B.; Adamowicz, Ludwik.

In: The Journal of Chemical Physics, Vol. 114, No. 8, 22.02.2001, p. 3393-3397.

Research output: Contribution to journalArticle

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