Nonadiabatic calculations of the dipole moments of LiH and LiD

Mauricio Cafiero, Ludwik Adamowicz

Research output: Contribution to journalArticlepeer-review

47 Scopus citations

Abstract

A method is presented for calculating the dipole moment directly using a variational non-Born-Oppenheimer wave function expanded in a basis set of floating, s-type explicitly correlated Gaussian (FSECG) basis functions. The method may be an excellent one for calculations of molecular properties in general.

Original languageEnglish (US)
Article number033002
Pages (from-to)033002/1-033002/4
JournalPhysical review letters
Volume88
Issue number3
StatePublished - Jan 21 2002

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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