Accurate orbital-independent density-functional potential including self-interaction correction
- 1 June 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 39 (11) , 6052-6055
- https://doi.org/10.1103/physreva.39.6052
Abstract
A new method of constructing approximate Kohn-Sham exchange-correlation potentials, , from the orbital-dependent potentials =δ[{}]/δ is proposed in which is obtained from integrating the weighted average of electric (WAE) field produced by the . Application of the WAE method to atoms with closed subshells employing exchange-only local-spin-density self-interaction correction and gradient-expansion-approximation self-interaction correction energy functionals yields and n(r) which closely approximate the OPM potentials and Hartree-Fock electron densities, respectively.
Keywords
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