Vanadium pentoxide (V2O5): A van der Waals density functional study

Computer Physics Communications

Volumn 182, Issue 9, 2011, Pages 1805-1809

  Londero, Elisa ^a   Schröder, Elsebeth ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

Crystal binding; Density functional theory; Exchange functionals; Oxide; van der Waals

Indexed keywords

BULK STRUCTURE; CRYSTAL BINDING; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL STUDY; FIRST-PRINCIPLES; FUNCTIONALS; IN-BUILDINGS; LONG RANGE INTERACTIONS; VAN DER WAALS; VANADIUM PENTOXIDE;

CALCULATIONS; VAN DER WAALS FORCES; VANADIUM; VANADIUM ALLOYS; VANADIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 79958164925     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2010.12.036     Document Type: Article

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