Improved nonadiabatic ground-state energy upper bound for dihydrogen

Donald B. Kinghorn; Ludwik Adamowicz

doi:10.1103/PhysRevLett.83.2541

Improved nonadiabatic ground-state energy upper bound for dihydrogen

Donald B. Kinghorn, Ludwik Adamowicz

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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 language	English (US)
Pages (from-to)	2541-2543
Number of pages	3
Journal	Physical review letters
Volume	83
Issue number	13
DOIs	https://doi.org/10.1103/PhysRevLett.83.2541
State	Published - Jan 1 1999

ASJC Scopus subject areas

General Physics and Astronomy

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10.1103/PhysRevLett.83.2541

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title = "Improved nonadiabatic ground-state energy upper bound for dihydrogen",

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.",

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AB - 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.

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Improved nonadiabatic ground-state energy upper bound for dihydrogen

Abstract

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