59 citations · 139 across the 4 of their papers we have counts for
3 papers · 1 filter
A local Fock-exchange potential in Kohn-Sham equations
T. W. Hollins, S. J. Clark, K. Refson +1
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 Ag...Ag dispersive interaction and exotic physical properties of Ag3Co(CN)6
Hong Fang, Martin T. Dove, Keith Refson
We report a density functional theory (DFT) study of Ag3Co(CN)6, a material noted for its colossal positive and negative thermal expansion, and its giant negative linear compressib…
Optimized Effective Potential Using The Hylleraas Variational Method
Tom W. Hollins, Stewart J. Clark, Keith Refson +1
In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential within density-functional…