Density functional energy decomposition into one- and two-atom contributions

Journal of Chemical Physics

Volumn 122, Issue 24, 2005, Pages

  Vyboishchikov, Sergei F ^a   Salvador, Pedro ^a   Duran, Miquel ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); ENERGY DECOMPOSITION; ENERGY DISSOCIATION; MAYER'S ENERGY;

BOND STRENGTH (CHEMICAL); CHEMICAL BONDS; CHEMICAL RELAXATION; CORRELATION METHODS; DECOMPOSITION; DISSOCIATION; HYDROGEN BONDS; ORGANOMETALLICS; PROBABILITY DENSITY FUNCTION;

ENERGY TRANSFER;

EID: 22544483839     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1935511     Document Type: Article

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