High accuracy non-Born-Oppenheimer calculations for the isotopomers of the hydrogen molecule with explicitly correlated Gaussian functions

Donald B. Kinghorn, Ludwik Adamowicz

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

The nonadiabatic ground states of six isotopomers of hydrogen were examined using the non-Born-Oppenheimer method with the explicitly correlated Gaussian functions. The energy results for the heteronuclear systems were found to be more accurate than that for the homonuclear systems.

Original languageEnglish (US)
Pages (from-to)4203-4205
Number of pages3
JournalThe Journal of Chemical Physics
Volume113
Issue number10
StatePublished - Sep 8 2000

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Ground state
Hydrogen
Molecules
ground state
hydrogen
molecules
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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title = "High accuracy non-Born-Oppenheimer calculations for the isotopomers of the hydrogen molecule with explicitly correlated Gaussian functions",
abstract = "The nonadiabatic ground states of six isotopomers of hydrogen were examined using the non-Born-Oppenheimer method with the explicitly correlated Gaussian functions. The energy results for the heteronuclear systems were found to be more accurate than that for the homonuclear systems.",
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AU - Adamowicz, Ludwik

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