Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes

Journal of Chemical Physics

Volumn 124, Issue 20, 2006, Pages

  Jacquemin, Denis ^a,b   Bouhy, Michaël ^a   Perp̀te, Eric A ^a,b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b FUND FOR SCIENTIFIC RESEARCH   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE DEVIATIONS; ORBITAL PICTURE; POLARIZABLE CONTINUUM MODEL (PCM); VIBRATIONAL FREQUENCY;

ABSORPTION; CARRIER CONCENTRATION; CORRELATION THEORY; ELECTRIC EXCITATION; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION;

ORGANIC COMPOUNDS;

EID: 34547649067     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2202735     Document Type: Article

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