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Volumn 131, Issue 15, 2009, Pages

Multimode simulation of dimer absorption spectra from first principles calculations: Application to the 3,4,9,10-perylenetetracarboxylic diimide dimer

(3) Guthmuller, Julien a,c Zutterman, Freddy b Champagne, Benòt a

a UNIVERSITY OF NAMUR (Belgium)

b AGFA GEVAERT N V (Belgium)

c FRIEDRICH SCHILLER UNIVERSITY JENA (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPARISON WITH EXPERIMENTS; ELECTRONIC EXCITATION; EXCITED ELECTRONIC STATE; EXCITON COUPLING; FIRST-PRINCIPLES CALCULATION; GROUND ELECTRONIC STATE; MULTIMODE SIMULATIONS; MULTIMODES; PERYLENETETRACARBOXYLIC DIIMIDES; POLARIZABLE CONTINUUM MODEL; RANDOM PHASE APPROXIMATIONS; TIME-DEPENDENT DFT; VIBRATIONAL EXCITATION;

ABSORPTION; ABSORPTION SPECTRA; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; EXCITED STATES; EXCITONS; LIGHT ABSORPTION; MONOMERS; OLIGOMERS; PROBABILITY DENSITY FUNCTION; SET THEORY; SIMULATORS;

ABSORPTION SPECTROSCOPY;

EID: 70449393966 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3245403 Document Type: Article

Times cited : (54)

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