Screened hybrid and DFT + U studies of the structural, electronic, and optical properties of U3O8

Journal of Physics Condensed Matter

Volumn 25, Issue 2, 2013, Pages

  Wen, Xiao Dong ^a   Martin, Richard L ^a   Scuseria, Gustavo E ^b,c   Rudin, Sven P ^a   Batista, Enrique R ^a   Burrell, Anthony K ^d  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b RICE UNIVERSITY   (United States)

^c KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

^d ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HIGH PRESSURE; HIGH TEMPERATURE; METALLIC PHASE;

DENSITY FUNCTIONAL THEORY;

OPTICAL PROPERTIES;

URANIUM DERIVATIVE; URANIUM OXIDE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; HEAT; REFRACTOMETRY;

COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; HOT TEMPERATURE; MODELS, CHEMICAL; MODELS, MOLECULAR; REFRACTOMETRY; URANIUM COMPOUNDS;

EID: 84870924214     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/2/025501     Document Type: Article

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