Accurate description of van der Waals complexes by density functional theory including empirical corrections

Journal of Computational Chemistry

Volumn 25, Issue 12, 2004, Pages 1463-1473

  Grimme, Stefan ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Density functional theory; Empirical corrections; Van der Waals complexes

Indexed keywords

ATOMS; BINDING ENERGY; COMPLEXATION; DAMPING; ELECTROSTATICS; GROUND STATE; MOLECULAR DYNAMICS; MONOMERS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; EMPIRICAL CORRECTIONS; INTERATOMIC POTENTIALS; VAN DER WAALS COMPLEXES;

VAN DER WAALS FORCES;

EID: 4043164887     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20078     Document Type: Article

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