A comparative theoretical study on DMABN: Significance of excited state optimized geometries and direct comparison of methodologies

Journal of Physical Chemistry A

Volumn 106, Issue 5, 2002, Pages 804-815

  Parusel, Andreas B J ^a   Rettig, Wolfgang ^b   Sudholt, Wibke ^c  

^a UNIVERSITY OF VIENNA   (Austria)

^b HUMBOLDT UNIVERSITY   (Germany)

^c HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

ABSORPTION; CHARGE TRANSFER; ENERGY TRANSFER; GROUND STATE; MOLECULAR ORIENTATION; OPTIMIZATION; PERTURBATION TECHNIQUES; PHOTOCHEMICAL REACTIONS; POLARIZATION; PROBABILITY DENSITY FUNCTION;

AROMATIC COMPOUNDS;

EID: 0037034430     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp015513m     Document Type: Article

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