FOHI-D: An iterative Hirshfeld procedure including atomic dipoles

Journal of Chemical Physics

Volumn 140, Issue 14, 2014, Pages

  Geldof, D ^a   Krishtal, A ^b   Blockhuys, F ^a   Van Alsenoy, C ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b University of Koblenz Landau   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; DIPOLE MOMENT; ELECTRIC FIELDS;

ATOMIC DIPOLE; CHLORINE ATOM; GROUP ELECTRONEGATIVITY; ITERATIVE SCHEMES; MOLECULAR ELECTROSTATIC POTENTIALS; MULTIPOLE EXPANSIONS; PARTITIONING METHODS; SCF CALCULATIONS;

ITERATIVE METHODS;

CHLORINE; HYDROGEN;

CHEMISTRY; QUANTUM THEORY; STATIC ELECTRICITY; THEORETICAL MODEL;

CHLORINE; HYDROGEN; MODELS, THEORETICAL; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 84899009643     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4870498     Document Type: Article

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