An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level

Journal of Chemical Physics

Volumn 136, Issue 2, 2012, Pages

  Azar, R Julian ^a,b   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC BASIS FUNCTIONS; BASIS SETS; BOND-BREAKING; CLUSTER OPERATOR; COUPLED-CLUSTER SINGLES AND DOUBLES; DONOR-ACCEPTOR INTERACTION; DYNAMICAL CORRELATIONS; ELECTRONIC DENSITY; ENERGY COMPONENTS; ENERGY DECOMPOSITION ANALYSIS; INTERACTION ENERGIES; INTERMOLECULAR INTERACTION ENERGIES; INTERMOLECULAR INTERACTION POTENTIALS; INTERMOLECULAR INTERACTIONS; LOCALIZED MOLECULAR ORBITALS; MEAN-FIELD; MOLECULAR COMPLEXES; RARE-GAS DIMER; SELF-CONSISTENT FIELD; VAN DER WAALS COMPLEX; WATER DIMERS; WEAK FORCE;

CHARGE TRANSFER; COMPLEXATION; DISPERSION (WAVES); HYDROGEN BONDS; INERT GASES; MOLECULAR ORBITALS; NUMERICAL METHODS; VAN DER WAALS FORCES;

DIMERS;

INERT GAS; WATER;

ARTICLE; CHEMISTRY; DIMERIZATION; HYDROGEN BOND; QUANTUM THEORY;

DIMERIZATION; HYDROGEN BONDING; NOBLE GASES; QUANTUM THEORY; WATER;

EID: 84855969329     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3674992     Document Type: Article

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