Improved nonadiabatic ground-state energy upper bound for dihydrogen

Donald B. Kinghorn, Ludwik Adamowicz

Research output: Contribution to journalArticle

83 Citations (Scopus)

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
StatePublished - Sep 27 1999

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ground state
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Cite this

Improved nonadiabatic ground-state energy upper bound for dihydrogen. / Kinghorn, Donald B.; Adamowicz, Ludwik.

In: Physical Review Letters, Vol. 83, No. 13, 27.09.1999, p. 2541-2543.

Research output: Contribution to journalArticle

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