Single-Parameter Free-Electron Exchange Approximation in Free Atoms
- 1 January 1970
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 1 (1), 37-38
- https://doi.org/10.1103/physreva.1.37
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 , 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.
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