Kohn-Sham

Published

November 7, 2025

The Kohn-Sham theory involves a ficticious non-interacting system that generate the seame \(\rho\) than any sistem of interacting particles (Hohenberg–Kohn theorem).

DFA theory uses Kohn-Sham expressions \(F[\rho]\) of observables as an approximation because we do not know a better one, (see tealeDFTExchangeSharing2022, Kohn-Sham band gap).

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