Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set

Journal of Chemical Physics

Volumn 129, Issue 1, 2008, Pages

  Vydrov, Oleg A ^a   Wu, Qin ^a   Van Voorhis, Troy ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; DISPERSION (WAVES); ELECTROMAGNETIC DISPERSION; FLOW INTERACTIONS; FLUORESCENCE; GAUSSIAN DISTRIBUTION; GEOMETRY; OPTIMIZATION; PHOTORESISTS; PHYSICS; TRELLIS CODES; TRUCKS; VAN DER WAALS FORCES;

AMERICAN INSTITUTE OF PHYSICS (AIP); ASYMPTOTICS; BASIS SETS; COARSE GRIDS; COMPLEX PHYSICS; CORRELATION FUNCTIONAL; DENSITY FUNCTIONAL APPROXIMATION (DFT); DENSITY-FUNCTIONAL (DF); DISPERSION INTERACTIONS; DOUBLE INTEGRATION; ELECTRON DENSITIES; FINE GRIDS; FIRST PRINCIPLES; FUNCTIONAL DERIVATIVES; GAUSSIAN BASIS FUNCTIONS; GAUSSIAN BASIS SETS; GEOMETRY OPTIMIZATIONS; HARTREE-FOCK EXCHANGES; INTERACTING SYSTEMS; NON LOCAL; NUMERICAL QUADRATURES; VAN DER WAALS; VAN-DER WAALS COMPLEXES;

SET THEORY;

EID: 46749091693     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2948400     Document Type: Article

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