Intermolecular electrostatic energies using density fitting

Journal of Chemical Physics

Volumn 123, Issue 4, 2005, Pages

  Cisneros, G Andŕs ^a   Piquemal, Jean Philip ^a   Darden, Thomas A ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CARRIER CONCENTRATION; COMPUTER SIMULATION; DIMERS; ELECTRIC FIELD EFFECTS; MATRIX ALGEBRA; MONOMERS; POTENTIAL ENERGY;

COULOMB FITTING; DENSITY MATRIX; ELECTROSTATIC ENERGIES; MOLECULAR ELECTRON DENSITY;

ELECTROSTATICS;

COPPER; FORMAMIDE DERIVATIVE; MAGNESIUM; N METHYLFORMAMIDE; WATER;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; ELECTRICITY; THEORETICAL MODEL;

COMPUTER SIMULATION; COPPER; DIMERIZATION; ELECTROSTATICS; FORMAMIDES; MAGNESIUM; MODELS, THEORETICAL; WATER;

EID: 23844479594     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1947192     Document Type: Article

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