The James wavefunction for the ground state of H2+

M. Jackson; R. P. McEachran; M. Cohen

doi:10.1016/0009-2614(71)80445-1

The James wavefunction for the ground state of H₂⁺

M. Jackson^*, R. P. McEachran, M. Cohen

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The James function for the ground state of H₂⁺ is determined variationally and the electronic energy calculated over a representative range of internuclear separations. The results are compared with other simple approximations. Although it decreases in accuracy as the internuclear separation increases the James function is found to be comparable with the highly accurate Guillemin and Zener function for internuclear separations up to three times the equilibrium separation.

Original language	English
Pages (from-to)	143-145
Number of pages	3
Journal	Chemical Physics Letters
Volume	10
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(71)80445-1
State	Published - 15 Jul 1971

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abstract = "The James function for the ground state of H2+ is determined variationally and the electronic energy calculated over a representative range of internuclear separations. The results are compared with other simple approximations. Although it decreases in accuracy as the internuclear separation increases the James function is found to be comparable with the highly accurate Guillemin and Zener function for internuclear separations up to three times the equilibrium separation.",

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AB - The James function for the ground state of H2+ is determined variationally and the electronic energy calculated over a representative range of internuclear separations. The results are compared with other simple approximations. Although it decreases in accuracy as the internuclear separation increases the James function is found to be comparable with the highly accurate Guillemin and Zener function for internuclear separations up to three times the equilibrium separation.

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The James wavefunction for the ground state of H₂⁺

Abstract

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