Atomic Bethe-Goldstone Calculations of Term Splittings, Ionization Potentials, and Electron Affinities for B, C, N, O, F, and Ne

C. M. Moser and R. K. Nesbet
Phys. Rev. A 4, 1336 – Published 1 October 1971
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Abstract

The ionization potentials, electron affinities, and term splittings of the lowest electronic configurations for first-row atoms for Z from 5 to 10 have been computed. The method used is that applied previously to ground-state correlation energies. Variational calculations equivalent to solution of one- and two-particle Bethe-Goldstone equations are carried out, following approximate Hartree-Fock calculations for each state of each atom or ion considered. Computed quantities are in reasonably good agreement with experiment. Bethe-Goldstone equations as used here are defined in terms of individual orbital excitations. Calculations of three-particle effects are included in some cases, computed with less relative accuracy than the other results. The three-particle terms are not negligible. In particular, they substantially reduce the magnitude of computed electron affinities.

  • Received 21 May 1971

DOI:https://doi.org/10.1103/PhysRevA.4.1336

©1971 American Physical Society

Authors & Affiliations

C. M. Moser

  • CECAM, Batiment 506, 91-Campus d'Orsay, France

R. K. Nesbet*

  • IBM Research Laboratory, San Jose, California 95114

  • *At CECAM, Orsay, April-June, 1970.

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Vol. 4, Iss. 4 — October 1971

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