The screened hybrid density functional study of metallic thorium carbide

Chemical Physics Letters

Volumn 460, Issue 1-3, 2008, Pages 137-140

  Lim, Ivan S ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTINIDES; BOUNDARY CONDITIONS; BOUNDARY VALUE PROBLEMS; METALLIC COMPOUNDS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; THORIUM;

ACTINIDE OXIDES; BAND GAPS; BULK MODULUS; DENSITY OF STATES (DOF); DENSITY-FUNCTIONAL (DF); ELSEVIER (CO); FERMI ENERGY; FUNCTIONALS; GAUSSIAN; GENERALIZED GRADIENT (GGA) APPROXIMATIONS; HYBRID DENSITY FUNCTIONAL; ORBITALS; PERIODIC BOUNDARY CONDITIONS (PBC); PLANE WAVES; ROCKSALT (RS); STRUCTURAL PARAMETERS;

DENSITY FUNCTIONAL THEORY;

EID: 47049110319     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.06.008     Document Type: Article

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