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Journal of Chemical Physics

Volumn 135, Issue 15, 2011, Pages

Calculating dispersion interactions using maximally localized Wannier functions

(3) Andrinopoulos, Lampros a Hine, Nicholas D M a Mostofi, Arash A a

a IMPERIAL COLLEGE LONDON (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER PHTHALOCYANINE; COUPLED-CLUSTER CALCULATIONS; DISPERSION INTERACTION; EQUILIBRIUM GEOMETRIES; MOLECULAR DIMERS; PREDICTIVE POWER; TOTAL ENERGY; VAN DER WAALS CONTRIBUTION; WANNIER FUNCTIONS;

ARGON; BENZENE; BINDING ENERGY; CHEMICAL MODIFICATION; DIMERS; ETHYLENE; METHANE; NITROGEN COMPOUNDS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 80155137255 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3647912 Document Type: Article

Times cited : (35)

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