Density-functional theory (hyper)polarizabilities of push-pull π -conjugated systems: Treatment of exact exchange and role of correlation

Journal of Chemical Physics

Volumn 123, Issue 1, 2005, Pages

  Bulat, Felipe A ^a   Toro Labb́, Alejandro ^a   Champagne, Benòt ^b   Kirtman, Bernard ^c   Yang, Weitao ^d  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b UNIVERSITY OF NAMUR   (Belgium)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION FUNCTIONALS; HYPERPOLARIZABILITIES; KOHN-SHAM (KS) METHOD; LOCAL-DENSITY APPROXIMATION (LDA);

APPROXIMATION THEORY; CARRIER CONCENTRATION; CORRELATION METHODS; ELECTRIC FIELD EFFECTS; ESTIMATION; OLIGOMERS;

PROBABILITY DENSITY FUNCTION;

EID: 22844452432     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1926275     Document Type: Article

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