Describing static correlation in bond dissociation by Kohn-Sham density functional theory

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Fuchs, M ^a   Niquet, Y M ^b   Gonze, X ^c   Burke, K ^d  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^c CEA GRENOBLE   (France)

^d RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH; EXCHANGE-CORRELATION ENERGY; KERNEL; RANDOM PHASE APPROXIMATION (RPA);

DISSOCIATION; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION;

CHEMICAL BONDS;

EID: 22944448333     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1858371     Document Type: Article

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