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

Authors

Viktor N. Staroverov, The University of Western OntarioFollow

Document Type

Article

Publication Date

2018

Journal

Theoretical Chemistry Accounts

Volume

137

Issue

9

URL with Digital Object Identifier

https://doi.org/10.1007/s00214-018-2303-3

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.

Notes

This version of the article has been accepted for publication, after peer review (when applicable) and is subject to Springer Nature’s AM terms of use, but is not the Version of Record and does not reflect post-acceptance improvements, or any corrections. The Version of Record is available online at: http://dx.doi.org/10.1007/s00214-018-2303-3