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Uniform electron gas limit of an exact expression for the Kohn–Sham exchange-correlation potential

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Abstract

Previously, we derived an exact formula for the Kohn–Sham exchange-correlation potential corresponding, in the basis-set limit, to the Hartree–Fock electron density of a given system. This formula expresses the potential in terms of the occupied Hartree–Fock and Kohn–Sham orbitals and orbital energies. Here, we show that, when applied to the Hartree–Fock description of a uniform electron gas, the formula correctly reduces to the exchange-only local density approximation.

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Acknowledgements

The author thanks Paola Gori-Giorgi for informative discussions of the theory of a uniform electron gas. The work was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC) through the Discovery Grants Program (Application No. RGPIN-2015-04814) and a Discovery Accelerator Supplement (RGPAS 477791-2015).

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  1. Department of Chemistry, The University of Western Ontario, London, ON, N6A 5B7, Canada

    Viktor N. Staroverov

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  1. Viktor N. Staroverov
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Correspondence to Viktor N. Staroverov.

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Staroverov, V.N. Uniform electron gas limit of an exact expression for the Kohn–Sham exchange-correlation potential. Theor Chem Acc 137, 120 (2018). https://doi.org/10.1007/s00214-018-2303-3

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