Lattice defects and magnetic ordering in plutonium oxides: A hybrid density-functional-theory study of strongly correlated materials

Journal of Chemical Physics

Volumn 123, Issue 1, 2005, Pages

  Prodan, Ionut D ^a   Scuseria, Gustavo E ^a   Sordo, Joś A ^b   Kudin, Konstantin N ^c   Martin, Richard L ^d  

^a RICE UNIVERSITY   (United States)

^b UNIVERSITY OF OVIEDO   (Spain)

^c PRINCETON UNIVERSITY   (United States)

^d LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATED MATERIALS; GENERALIZED GRADIENT APPROXIMATION (GGA); PLUTONIUM OXIDES; SELF-INTERACTION CORRECTION (SIC);

APPROXIMATION THEORY; BOUNDARY CONDITIONS; CRYSTAL DEFECTS; ELECTRONIC STRUCTURE; MAGNETIZATION; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; RADIOACTIVE WASTES; STOICHIOMETRY;

PLUTONIUM COMPOUNDS;

EID: 22844450509     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1953427     Document Type: Article

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