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dc.contributor.authorGarcía Fernández, Pablo (físico) 
dc.contributor.authorAndjelkovic, Ljubica
dc.contributor.authorZlatar, Matija
dc.contributor.authorGruden-Pavlovic, Maja
dc.contributor.authorDreuw, Andreas
dc.contributor.otherUniversidad de Cantabriaes_ES
dc.date.accessioned2014-06-10T13:07:37Z
dc.date.available2014-06-10T13:07:37Z
dc.date.issued2013-11
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.urihttp://hdl.handle.net/10902/4804
dc.description.abstractThe interplay of excitonic and vibronic coupling in coupled chromophores determines the efficiency of exciton localization vs delocalization, or in other words, coherent excitation energy transfer vs exciton hopping. For the investigation of exciton localization in large coupled dimers, a model Hamiltonian approach is derived, the ingredients of which can all be obtained from monomer ab initio calculations alone avoiding costly ab initio computation of the full dimer. The accuracy and applicability of this model are exemplified for the benzene dimer by rigorous comparison to ab initio results.es_ES
dc.format.extent11 p.es_ES
dc.language.isoenges_ES
dc.publisherAmerican Institute of Physicses_ES
dc.rights© 2013 AIP Publishing LLCes_ES
dc.sourceJournal of Chemical Physics, vol. 139, iss. 17, art. num. 174101 (2013)es_ES
dc.titleA simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theoryes_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publisherVersionhttp://dx.doi.org/10.1063/1.4827398es_ES
dc.rights.accessRightsopenAccesses_ES
dc.identifier.DOI10.1063/1.4827398
dc.type.versionpublishedVersiones_ES


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