Single-Parameter Free-Electron Exchange Approximation in Free Atoms

E. A. Kmetko
Phys. Rev. A 1, 37 – Published 1 January 1970
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Abstract

The optimum scale factor for the Slater free-electron exchange approximation for atoms has been obtained by minimizing the total electronic energy. In general, the scale factor lies between the Slater and the Gaspar-Kohn-Sham limit of 1 and 23, respectively. The variation that occurs as the different shells are populated is qualitatively understandable in terms of the inhomogeneity of the over-all charge distribution.

  • Received 13 June 1969

DOI:https://doi.org/10.1103/PhysRevA.1.37

©1970 American Physical Society

Authors & Affiliations

E. A. Kmetko

  • University of California, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87544

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Vol. 1, Iss. 1 — January 1970

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