How the Piecewise-Linearity Requirement for the Density Affects Quantities in the Kohn–Sham System
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DOI: 10.1021/acs.jctc.4c01152
Abstract: Kohn–Sham (KS) density functional theory (DFT) is an extremely popular, in-principle exact method, which can describe any many-electron system by introducing an auxiliary system of noninteracting electrons with the same density. When the number of… read more here.
Keywords: system; kohn sham; linearity requirement; density ... See more keywords