Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces (Articolo in rivista)

Type
Label
  • Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Alternative label
  • Curutchet, C; Cammi, R; Mennucci, B; Corni, S (2006)
    Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Curutchet, C; Cammi, R; Mennucci, B; Corni, S (literal)
Pagina inizio
  • 054710 (literal)
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  • 125 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 5 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Parma, Dipartimento Chim Gen & Inorgan Chim Analit & Chi, I-43100 Parma, Italy; Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy; CNR, INFM, Natl Res Ctr NanoStruct & BioSyst Surfaces, I-41100 Modena, Italy (literal)
Titolo
  • Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces (literal)
Abstract
  • In this paper we present a quantum mechanical model to study excitation energy transfers in molecular systems located in the vicinity of an interface. The model is based on an approximate solution of the time-dependent density functional theory equations and solvent effects are introduced in terms of the integral equation formalism version of the polarizable continuum model. A unique characteristic of this model is that environment induced polarizing effects on the interacting molecules and screening effects on their interaction are included in a coherent and self-consistent way. The model is applied to different situations of the ethylene dimer in the vicinity of an air/water interface and compared with an alternative quantum electrodynamics approach. (c) 2006 American Institute of Physics. (literal)
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