Atomic Bethe-Goldstone calculations of term splittings, ionization potentials, and electron affinities. III. Al, Si, P, S, Cl, and Ar using orbital excitations
- 1 April 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 11 (4) , 1157-1161
- https://doi.org/10.1103/physreva.11.1157
Abstract
Ionization potentials, electron affinities, and term splittings have been computed for the lowest electronic configurations of atoms with 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 -shell correlations, with very little contribution from interactions, and no substantial -shell effect. Estimates are made of the effects of extending the orbital basis set beyond orbitals and of including three-particle correlation.
Keywords
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