Theorem for exact local exchange potential

Hui Ou-Yang and Mel Levy
Phys. Rev. Lett. 65, 1036 – Published 20 August 1990
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Abstract

Consider a local exchange potential v¯x(r) which depends on a set of orbitals {φi}. It is proven that v¯x is the exact Kohn-Sham density-functional exchange potential, when {φi} is optimum, if and only if vx satisfies three specified conditions. Exchange potentials are presented which satisfy two of the conditions, one of which is satisfied neither by the original Slater potential nor by the local-density approximation.

  • Received 12 December 1988

DOI:https://doi.org/10.1103/PhysRevLett.65.1036

©1990 American Physical Society

Authors & Affiliations

Hui Ou-Yang and Mel Levy

  • Department of Chemistry and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

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Issue

Vol. 65, Iss. 8 — 20 August 1990

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