Density functional theory based effective fragment potential method

Journal of Chemical Physics

Volumn 118, Issue 15, 2003, Pages 6725-6732

  Adamovic, Ivana ^a   Freitag, Mark A ^a,b   Gordon, Mark S ^a  

^a IOWA STATE UNIVERSITY   (United States)

^b CREIGHTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHARGE TRANSFER; ELECTRIC FIELDS; HAMILTONIANS; HYDROGEN BONDS; MOLECULES; MONOMERS; OPTIMIZATION; QUANTUM THEORY; SOLVENTS; TENSORS; WATER;

CHARGE DENSITIES; COULOMBIC INTERACTIONS; DISCRETE METHOD; DISTRIBUTED MULTIPOLAR ANALYSIS; EFFECTIVE FRAGMENT POTENTIAL METHOD; FRAGMENT-FRAGMENT INTERACTIONS; GLYCINE; HARTREE-FOCK THEORY; LOCALIZED MOLECULAR ORBITAL POLARIZABILITIES;

PROBABILITY DENSITY FUNCTION;

EID: 0037961695     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1559912     Document Type: Article

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