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Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne

R. K. Nesbet

  • IBM Research Laboratory, San Jose, California

Phys. Rev. 175, 2 – Published 5 November, 1968

DOI: https://doi.org/10.1103/PhysRev.175.2

Abstract

A variational formulation of Brueckner's theory has been used to solve Bethe-Goldstone equations and to compute electronic pair-correlation energies for the atoms listed in the title. One-electron effective correlation energies, needed for open-shell atomic states, are also computed. An approximate Hartree-Fock function is used for the reference state in each case. Individual pair-correlation energies are computed to an expected accuracy of 0.001 Hartree a.u. The total correlation energies range from 98.5 to 100.3% of the empirical correlation energy. For comparison with many-particle perturbation theory, definitions of the hierarchy of nth-order Bethe-Goldstone equations and of the concepts of gross and net mean-value increments used in this work are restated in terms of linked Goldstone diagrams.

See Also

Atomic Bethe-Goldstone Equations. I. The Be Atom

R. K. Nesbet
Phys. Rev. 155, 51 (1967)

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