A local Fock-exchange potential in Kohn–Sham equations
(2016)
Journal Article
Hollins, T., Clark, S., Refson, K., & Gidopoulos, N. (2017). A local Fock-exchange potential in Kohn–Sham equations. Journal of Physics: Condensed Matter, 29(4), Article 04LT01. https://doi.org/10.1088/1361-648x/29/4/04lt01
We derive and employ a local potential to represent the Fock exchange operator in electronic single-particle equations. This local Fock-exchange (LFX) potential is very similar to the exact exchange (EXX) potential in density functional theory (DFT).... Read More about A local Fock-exchange potential in Kohn–Sham equations.