Quantum-Mechanical Interpretation of the Exchange-Correlation Potential of Kohn-Sham Density-Functional Theory
- 30 January 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 62 (5), 489-492
- https://doi.org/10.1103/PhysRevLett.62.489
Abstract
We interpret the exchange-correlation potential of Kohn-Sham density-functional theory to be the work required to move an electron against the electric field of its Fermi-Coulomb hole charge distribution. We substantiate this interpretation in the exchange-only approximation by proving the satisfaction of a necessary condition as well as by application to few-electron atomic and many-electron metallic surface systems. This interpretation also provides insights into the exact Slater exchange potential.Keywords
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