Ab-initio study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista)

Type
Label
  • Ab-initio study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (literal)
Anno
  • 2004-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/pssc.200304034 (literal)
Alternative label
  • E. Fabiano ; F. Della Sala ; R. Cingolani (2004)
    Ab-initio study of singlet and triplet excitation energies in oligothiophenes
    in Physica status solidi. C, Current topics in solid state physics (Internet)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • E. Fabiano ; F. Della Sala ; R. Cingolani (literal)
Pagina inizio
  • 3186 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://onlinelibrary.wiley.com/doi/10.1002/pssc.200304034/abstract (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 1 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • National Nanotechnology Laboratory, INFM-Dipartimento di Ingegneria dell'Innovazione, Università di Lecce, Via per Arnesano, I-73100 Lecce, Italy (literal)
Titolo
  • Ab-initio study of singlet and triplet excitation energies in oligothiophenes (literal)
Abstract
  • We report singlet and triplet electronic excitations in oligomers of thiophene using a state-of-art ab-initio approach, i.e. the approximated coupled cluster singles and doubles method. This highly correlated and size-consistent method is required to correctly describe excitonic effects in such strongly confined systems. We show that this approach provides an excellent accuracy in reproducing absolute values and chain-length evolution of excitation energies as compared with recent photo-detachment photoelectron spectroscopy measurements. (literal)
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