Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Journal of Computational Chemistry

Volumn 27, Issue 15, 2006, Pages 1787-1799

  Grimme, Stefan ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Density functional theory; Generalized gradient approximation; Thermochemistry; Van der Waals interactions

Indexed keywords

APPROXIMATION THEORY; AROMATIC COMPOUNDS; COMPUTATIONAL METHODS; DISPERSIONS; MOLECULAR STRUCTURE; ORGANOMETALLICS; VAN DER WAALS FORCES; XENON;

BECKES POWER SERIES; DISPERSION CORRECTION; GENERALIZED GRADIENT APPROXIMATION (GGA); THERMOCHEMISTRY;

PROBABILITY DENSITY FUNCTION;

EID: 33750559983     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20495     Document Type: Article

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