Numerical fitting of molecular properties to Hermite Gaussians

Journal of Physical Chemistry A

Volumn 111, Issue 47, 2007, Pages 12049-12056

  Cisneros, G Andrés ^a   Elking, Dennis ^a   Piquemal, Jean Philip ^b   Darden, Thomas A ^a  

^a NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FITTING (DF); HERMITE GAUSSIANS; MOLECULAR PROPERTIES; NUMERICAL FITTING;

BOUNDARY CONDITIONS; COULOMB INTERACTIONS; ELECTRIC FIELD EFFECTS; LEAST SQUARES APPROXIMATIONS; MOLECULAR STRUCTURE; NUMERICAL METHODS;

DIMERS;

ARTICLE; CALORIMETRY; CHEMICAL STRUCTURE; ELECTROCHEMISTRY; NORMAL DISTRIBUTION; REPRODUCIBILITY;

CALORIMETRY; ELECTROCHEMISTRY; MODELS, MOLECULAR; NORMAL DISTRIBUTION; REPRODUCIBILITY OF RESULTS;

EID: 36949031906     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074817r     Document Type: Article

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