Publication
Physical Review A
Paper

Atomic Bethe-Goldstone calculations of term splittings, ionization potentials, and electron affinities. III. Al, Si, P, S, Cl, and Ar using orbital excitations

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Abstract

Ionization potentials, electron affinities, and term splittings have been computed for the lowest electronic configurations of atoms with Z from 13 to 18. Following approximate Hartree-Fock calculations, correlation energies are computed by variational solution of one- and two-electron Bethe-Goldstone equations, defined in terms of orbital excitations. All computed energy differences are in good agreement with experiment. The energy differences arise primarily from M-shell correlations, with very little contribution from L-M interactions, and no substantial L-shell effect. Estimates are made of the effects of extending the orbital basis set beyond f orbitals and of including three-particle correlation. © 1975 The American Physical Society.

Date

01 Apr 1975

Publication

Physical Review A

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