First-principles local density approximation (LDA) + U and generalized gradient approximation (GGA) + U studies of plutonium oxides

Chinese Physics B

Volumn 17, Issue 4, 2008, Pages 1364-1370

  Sun, Bo ^a   Zhang, Ping ^a  

^a INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

Author keywords

GGA+U; LDA+U; Plutonium oxides; The first principles calculation

Indexed keywords

ELECTRONIC STRUCTURE; LOCAL DENSITY APPROXIMATION;

FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATION (GGA); PLUTONIUM OXIDES;

PLUTONIUM COMPOUNDS;

EID: 42449107343     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/17/4/035     Document Type: Article

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