Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters

Journal of Chemical Physics

Volumn 130, Issue 24, 2009, Pages

  Rapacioli, Mathias ^a   Spiegelman, Fernand ^a   Talbi, Dahbia ^b   Mineva, Tzonka ^c   Goursot, Annick ^c   Heine, Thomas ^d   Seifert, Gotthard ^e  

^a CNRS   (France)

^b UNIV MONTPELLIER   (France)

^c UNIVERSITÉ DE MONTPELLIER   (France)

^d JACOBS UNIVERSITY BREMEN   (Germany)

^e DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CHARGE; BENCHMARK SYSTEM; BENZENE DIMERS; CCSD; CORONENE; COULOMBIC INTERACTIONS; DENSITY FUNCTIONAL; DISPERSION FORCE; FUNCTIONALS; INTERMOLECULAR POTENTIALS; MOLECULAR CLUSTERS; NUCLEAR FORCE; POSTERIORI; SANDWICH CONFIGURATION; SELF-CONSISTENT CALCULATION; SELF-CONSISTENT CHARGES; SEMI-EMPIRICAL METHODS; SYMMETRY ADAPTED PERTURBATION THEORY; TIGHT BINDING; VAN DER WAALS CLUSTERS;

AROMATIC HYDROCARBONS; BENZENE; BINDING ENERGY; DISPERSIONS; ERROR CORRECTION; PERTURBATION TECHNIQUES; POLYCYCLIC AROMATIC HYDROCARBONS; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 67650472796     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3152882     Document Type: Article

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