Della Sala F, Görling A (2001)
Publication Type: Journal article, Original article
Publication year: 2001
Original Authors: Della Sala F., Görling A.
Publisher: American Institute of Physics (AIP)
Book Volume: 115
Pages Range: 5718-5732
Journal Issue: 13
DOI: 10.1063/1.1398093
An attempt is made to introduce a computationally efficient Kohn-Sham (KS) approach to treat the KS exchange potential in molecules with high accuracy. First, two closely related potential are introduced, and algorithms are presented to efficiently carry out these as well as the KLI procedure. Furthermore, new insight into the relation between the HF and the KS formalism is given.
APA:
Della Sala, F., & Görling, A. (2001). Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules. Journal of Chemical Physics, 115(13), 5718-5732. https://doi.org/10.1063/1.1398093
MLA:
Della Sala, Fabio, and Andreas Görling. "Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules." Journal of Chemical Physics 115.13 (2001): 5718-5732.
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