Second-order perturbation treatment of the ground state of H2+

M. Jackson; R. P. Mceachran; M. Cohen

doi:10.1063/1.1672653

Second-order perturbation treatment of the ground state of H₂+

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

^*Corresponding author for this work

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

3 Scopus citations

Abstract

Rayleigh-Schrödinger perturbation theory has been used through second order to obtain an analytic representation for the ground-state wavefunction of H₂⁺. Values of the electronic energy and other molecular properties computed with this approximate wavefunction are compared with the corresponding exact values, and they demonstrate its high accuracy.

Original language	English
Pages (from-to)	102-106
Number of pages	5
Journal	The Journal of Chemical Physics
Volume	52
Issue number	1
DOIs	https://doi.org/10.1063/1.1672653
State	Published - 1970
Externally published	Yes

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AB - Rayleigh-Schrödinger perturbation theory has been used through second order to obtain an analytic representation for the ground-state wavefunction of H2+. Values of the electronic energy and other molecular properties computed with this approximate wavefunction are compared with the corresponding exact values, and they demonstrate its high accuracy.

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Second-order perturbation treatment of the ground state of H₂+

Abstract

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