On the relationship between bond-length alternation and many-electron self-interaction error

Journal of Chemical Physics

Volumn 137, Issue 12, 2012, Pages

  Körzdörfer, Thomas ^a,b   Parrish, Robert M ^a   Sears, John S ^a   Sherrill, C David ^a   Brédas, Jean Luc ^a,c  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF POTSDAM   (Germany)

^c KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH ALTERNATION; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRONIC STRUCTURE THEORY; HARTREE-FOCK; HF AND DFT; MOLECULAR CHAINS; SECOND ORDER PERTURBATION THEORY; SELF-INTERACTION ERROR;

DENSITY FUNCTIONAL THEORY; MOLECULAR PHYSICS;

BOND LENGTH;

EID: 84867006351     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4752431     Document Type: Article

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