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

Donald B. Kinghorn; Ludwik Adamowicz

doi:10.1063/1.1288376

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 journal › Article › peer-review

50 Scopus citations

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 language	English (US)
Pages (from-to)	4203-4205
Number of pages	3
Journal	Journal of Chemical Physics
Volume	113
Issue number	10
DOIs	https://doi.org/10.1063/1.1288376
State	Published - Sep 8 2000

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1288376

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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.",

author = "Kinghorn, \{Donald B.\} and Ludwik Adamowicz",

year = "2000",

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doi = "10.1063/1.1288376",

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T1 - High accuracy non-Born-Oppenheimer calculations for the isotopomers of the hydrogen molecule with explicitly correlated Gaussian functions

AU - Kinghorn, Donald B.

AU - Adamowicz, Ludwik

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N2 - 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.

AB - 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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JO - Journal of Chemical Physics

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

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