Dispersion in the mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory

Journal of Computational Chemistry

Volumn 29, Issue 13, 2008, Pages 2288-2294

  Roy, Lindsay E ^a   Durakiewicz, Tomasz ^a   Martin, Richard L ^a   Peralta, Juan E ^b,c   Scuseria, Gustavo E ^b   Olson, Cliff G ^d   Joyce, John J ^a   Guziewicz, Ela ^e  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b RICE UNIVERSITY   (United States)

^c CENTRAL MICHIGAN UNIVERSITY   (United States)

^d IOWA STATE UNIVERSITY   (United States)

^e INSTITUTE OF PHYSICS   (Poland)

Author keywords

Density functional theory; Hybrid DFT; PES spectroscopy; UO2

Indexed keywords

HIGH-RESOLUTION PHOTOEMISSION; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID DFT; MOTT INSULATOR; PES SPECTROSCOPY; UO2;

PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS;

DENSITY FUNCTIONAL THEORY;

EID: 50149111549     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21036     Document Type: Article

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