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Department of Physics

Staff profile

Publication details for Professor Stewart Clark

Clark, Stewart J., Hollins, Thomas W., Refson, Keith & Gidopoulos, Nikitas I. (2017). Self-interaction free local exchange potentials applied to metallic systems. Journal of Physics: Condensed Matter 29(37): 374002.

Author(s) from Durham

Abstract

We extend the formalism of local exchange methods to calculate and investigate the electronic structure of metals. It is well-known that the Hartree-Fock method when applied to metals shows unphysical behaviour, however the accurate treatment of exchange via DFT's exact exchange method (EXX) and using our local Fock exchange method (LFX) can be used to describe metallic band structures accurately.