Answers are grounded in this paper and cite their sources.
A new all-electron Kohn-Sham method for molecules and clusters is introduced and applied. The local Kohn-Sham exchange potential and the exchange energy are treated exactly. The method yields high quality one-particle spectra. An exchange-correlation charge density which generates the exchange-correlation potential is introduced. It may turn out to be of great interpretative value. Within the new Kohn-Sham method the exchange part of this density is constructed.
No takes yet. Share an insight, caveat, or question.
Andreas Görling (1999) studied this question.
Synapse has enriched 5 related papers. Consider them for comparative context: