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

 

• Viktor N. Staroverov
  

 

 

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.

 

 https://sci-hub.se/https://link.springer.com/article/10.1007%2Fs00214-018-2303-3