Improved nonadiabatic ground-state energy upper bound for dihydrogen

Donald B. Kinghorn, Ludwik Adamowicz

Research output: Contribution to journalArticle

83 Scopus citations

Abstract

A new, highly accurate, value for the nonadiabatic energy of the dihydrogen ground state is reported, (−1.1640250232 hartree). The calculations were performed with a direct nonadiabatic variational approach using a new correlated Gaussian basis set including powers of the internuclear distance.

Original languageEnglish (US)
Pages (from-to)2541-2543
Number of pages3
JournalPhysical review letters
Volume83
Issue number13
DOIs
StatePublished - Jan 1 1999

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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