Nonadjustable local model potentials for the exchange interaction between valence and core electrons
- 1 August 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 24 (2) , 649-655
- https://doi.org/10.1103/physreva.24.649
Abstract
The ability of existing nonadjustable local-exchange approximations to represent interelectronic exchange is tested by comparing valence-electron energies and average radii in Rb and Ag as determined in two different approaches: a relativistic-model-potential approach and one employing the polarizable frozen-core relativistic Hartree-Fock method. The calculations are identical in these two approaches except for the treatment of exchange. Two approximations originally developed for electron-atom-scattering processes are found to be the most accurate. A new approximation based on the free-electron-gas model is also discussed.Keywords
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