Interaction energies in hydrogen-bonded systems: A testing ground for subsystem formulation of density-functional theory

Journal of Chemical Physics

Volumn 124, Issue 2, 2006, Pages

  Kevorkyants, R ^a   Dulak, M ^a   Wesolowski, T A ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO DATA; GENERALIZED GRADIENT APPROXIMATION (GGA); INTERMOLECULAR DISTANCE; LOCAL DENSITY APPROXIMATION (LDA);

APPROXIMATION THEORY; BINDING ENERGY; CARRIER CONCENTRATION; DEFORMATION; ERROR ANALYSIS; KINETIC ENERGY; PROBABILITY DENSITY FUNCTION; VARIATIONAL TECHNIQUES;

HYDROGEN BONDS;

EID: 30744460612     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2150820     Document Type: Article

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