An interaction energy decomposition approach for the supermolecule density functional theory calculations

Journal of Chemical Physics

Volumn 119, Issue 24, 2003, Pages 12704-12707

  Cybulski, Slawomir M ^a   Seversen, Christopher E ^a  

^a MIAMI UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALCULATIONS; ELECTRON ENERGY LEVELS; INERT GASES; MOLECULAR DYNAMICS; MONOMERS; PROBABILITY DENSITY FUNCTION;

INTERACTION ENERGY DECOMPOSITION; SUPERMOLECULES DENSITY FUNCTIONAL THEORY; SYMMETRY ADAPTED PERTURBATION THEORY;

MOLECULES;

EID: 0942290090     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1635351     Document Type: Article

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