A reparametrization of a meta-GGA exchange-correlation functional with improved descriptions of van der Waals interactions

Chemical Physics Letters

Volumn 436, Issue 4-6, 2007, Pages 394-399

  Zhang, Yue ^a   Salahub, Dennis R ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; HYDROGEN BONDS; MATHEMATICAL MODELS; OPTIMIZATION; PARAMETER ESTIMATION; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY; META GGA CORRELATION MODELS; REPARAMETRIZATION; VAN DER WAALS INTERACTIONS;

PROBABILITY DENSITY FUNCTION;

EID: 33847274666     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.01.074     Document Type: Article

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