The Optimised effective potential
نویسندگان
چکیده
We extend the formalism of local exchange methods to calculate and investigate the electronic structure of metals. It is well-known that the Hatree-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.
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تاریخ انتشار 2017