Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach

Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach

© 2020 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 41(2020), 12 vom: 05. Mai, Seite 1200-1208
1. Verfasser: Aquino, Fredy W (VerfasserIn)
Weitere Verfasser: Shinde, Ravindra, Wong, Bryan M
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2020
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Fermi-Löwdin orbitals density functional theory fractional occupation numbers ionization potentials self-interaction corrections
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