Publication details for Professor Stewart ClarkClark, 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.
- Publication type: Journal Article
- ISSN/ISBN: 0953-8984, 1361-648X
- DOI: 10.1088/1361-648X/aa7ba6
- Further publication details on publisher web site
- Durham Research Online (DRO) - may include full text
Author(s) from Durham
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.