Abstract
In Kohn–Sham density functional theory, equations for occupied orbital functions of a model state are derived from the exact ground‐state energy functional of Hohenberg and Kohn. The exchange‐correlation potential in these exact Kohn–Sham equations is commonly assumed to be a local potential function rather than a more general linear operator. This assumption is tested and shown to fail for the exchange potential in a Hartree–Fock model for atoms, for which accurate solutions are known.
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Nesbet, R., Colle, R. Does an exact local exchange potential exist?. Journal of Mathematical Chemistry 26, 233–242 (1999). https://doi.org/10.1023/A:1019198214725
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DOI: https://doi.org/10.1023/A:1019198214725