Pair-correlation energies in sodium hydride with many-body perturbation theory

Rodney J. Bartlett and David M. Silver
Phys. Rev. A 10, 1927 – Published 1 December 1974; Erratum Phys. Rev. A 13, 912 (1976)
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Abstract

Many-body perturbation theory (MBPT) is applied to the electronic structure of the sodium hydride molecule using a basis set of Slater-type orbitals. Both a VN and a VN1 potential are considered for determining the virtual orbitals, but these are shown to give nearly equivalent results when all pairlike diagrams are summed through third order in the MBPT expansion using shifted denominators. A value of -0.2544 hartrees is obtained for the correlation energy, which is ∼59% of the experimental value. A clear separation into intrashell and intershell correlation energy effects is observed.

  • Received 18 April 1974

DOI:https://doi.org/10.1103/PhysRevA.10.1927

©1974 American Physical Society

Erratum

Erratum: Pair-correlation energies in sodium hydride with many-body perturbation theory

Rodney J. Bartlett and David M. Silver
Phys. Rev. A 13, 912 (1976)

Authors & Affiliations

Rodney J. Bartlett*

  • Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218

David M. Silver

  • Applied Physics Laboratory, The Johns Hopkins University, Silver Spring, Maryland 20910

  • *Present address: Battelle Institute, Pacific Northwest Laboratory, Richland, Wash. 99352.

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Issue

Vol. 10, Iss. 6 — December 1974

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