Hybrid density-functional theory and the insulating gap of UO2

Physical Review Letters

Volumn 89, Issue 26, 2002, Pages

  Kudin, Konstantin N ^a   Scurseria, Gustavo E ^a   Martin, Richard L ^b  

^a RICE UNIVERSITY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC MATERIALS; APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; GROUND STATE; LATTICE CONSTANTS; NEUTRON SCATTERING; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; LOCAL SPIN DENSITY APPROXIMATION; MOTT INSULATOR;

URANIUM COMPOUNDS;

EID: 8444247218     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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