Quantitative prediction of optical excitations in conjugated organic oligomers: A density functional theory study

Journal of Chemical Physics

Volumn 117, Issue 12, 2002, Pages 5921-5928

  Pogantsch, A ^a   Heimel, G ^a   Zojer, E ^a  

^a GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; CALCULATIONS; ELECTRON EMISSION; ELECTRON TRANSITIONS; FLUORESCENCE; GROUND STATE; OPTIMIZATION; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION;

CONJUGATED ORGANIC OLIGOMERS; DENSITY FUNCTIONAL THEORY; HARTREE FOCK CONFIGURATIONS; OPTICAL EXCITATIONS; PARA PHENYLENES; PARA PHENYLENEVINYLENES; THIOPHENES;

OLIGOMERS;

EID: 0037159091     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1502244     Document Type: Article

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