Görling A (1999)
Publication Type: Journal article, Original article
Publication year: 1999
Original Authors: Görling A.
Publisher: American Physical Society
Book Volume: 83
Pages Range: 5459-5462
URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-0000442705&origin=inward
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.
APA:
Görling, A. (1999). New KS method for molecules based on an exchange charge density generating the exact local KS exchange potential. Physical Review Letters, 83, 5459-5462.
MLA:
Görling, Andreas. "New KS method for molecules based on an exchange charge density generating the exact local KS exchange potential." Physical Review Letters 83 (1999): 5459-5462.
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