Self-interaction correction in the local density approximation
- 14 February 1983
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 16 (3) , 349-357
- https://doi.org/10.1088/0022-3700/16/3/011
Abstract
A correction for the self-interaction contribution, which depends only on the total number of electrons, is introduced in the local density approximation. Energies and scattering form factors for rare-gas atoms, positive alkali ions and negative halogen ions are calculated both for the Kohn-Sham form of the exchange potential and for the Slater one, and compared with those calculated from the Hartree-Fock equation. Both the corrected KS and S equations give results very close to the HF ones. For negative ions bound states are obtained without artificial modifications of the potential.Keywords
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