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- W1982532007 abstract "La theorie de la fonctionnelle densite du modele de Hubbard est etudiee par approximation de la densite locale ainsi que sa version corrigee par autointeraction. On propose un algorithme puissant fonde sur une idee d'un recuit simule. On l'applique pour obtenir les orbitales localisees ou minimisant l'energie totale corrigee par autointeraction. On etudie la possibilite de calculer une structure de bande convenable pour un cas isolant a moitie rempli, pour les bandes de valence et de conduction" @default.
- W1982532007 created "2016-06-24" @default.
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- W1982532007 date "1990-12-15" @default.
- W1982532007 modified "2023-09-30" @default.
- W1982532007 title "Localized orbitals and single-electron spectrum in self-interaction-corrected density-functional theory" @default.
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- W1982532007 doi "https://doi.org/10.1103/physrevb.42.10924" @default.
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