DFT+U in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments (Englisch)
- Neue Suche nach: Shishkin, M.
- Neue Suche nach: Sato, H.
- Neue Suche nach: Shishkin, M.
- Neue Suche nach: Sato, H.
In:
The Journal of Chemical Physics
;
151
, 2
;
14
;
2019
- Aufsatz (Zeitschrift) / Elektronische Ressource
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Titel:DFT+U in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments
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Weitere Titelangaben:M. Shishkin and H. Sato
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Beteiligte:Shishkin, M. ( Autor:in ) / Sato, H. ( Autor:in )
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Erschienen in:The Journal of Chemical Physics ; 151, 2 ; 14
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Verlag:
- Neue Suche nach: AIP Publishing LLC
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Erscheinungsdatum:14.07.2019
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Format / Umfang:14 pages
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ISSN:
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DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis – Band 151, Ausgabe 2
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