An efficient, fragment-based electronic structure method for molecular systems: Self-consistent polarization with perturbative two-body exchange and dispersion

Journal of Chemical Physics

Volumn 134, Issue 9, 2011, Pages

  Jacobson, Leif D ^a   Herbert, John M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO BENCHMARK; AVERAGE ERRORS; BASIS SETS; BENCHMARK CALCULATIONS; COMPUTATIONAL COSTS; DISPERSION INTERACTION; ELECTRONIC POLARIZATION; INTERMOLECULAR EXCHANGE; MOLECULAR LIQUIDS; MOLECULAR SYSTEMS; SELF-CONSISTENT FIELD; SYMMETRY ADAPTED PERTURBATION THEORY; WATER CLUSTER;

BINDING ENERGY; CALCULATIONS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DIMERS; DISPERSIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NUCLEAR ENERGY; PERTURBATION TECHNIQUES; POLARIZATION; POTENTIAL ENERGY;

ELECTRONIC DOCUMENT EXCHANGE;

EID: 79952518180     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3560026     Document Type: Article

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