Valence-bond treatment of distortions in polyacene polymers

dc.contributor.authorGarcía Bach, Ma. de los Ángelescat
dc.contributor.authorPeñaranda Ayllon, Angelinacat
dc.contributor.authorKlein, D. J.cat
dc.date.accessioned2009-10-28T09:27:03Z
dc.date.available2009-10-28T09:27:03Z
dc.date.issued1992cat
dc.description.abstractDistortions of polyacene polymers are studied within a many-body valence-bond framework using a powerful transfer-matrix technique for the valence-bond (or Heisenberg) model of the system. The computations suggest that the ground-state geometry is either totally symmetric or possibly exhibits a slight (A2 or B2 symmetry) bond-alternation distortion. The lowest-energy (nonsymmetric, in-plane) distortions are the A2 and B2 modes, which, within our approximations, are degenerate.eng
dc.format.extent11 p.cat
dc.format.mimetypeapplication/pdfeng
dc.identifier.idgrec63462cat
dc.identifier.issn0163-1829cat
dc.identifier.urihttps://hdl.handle.net/2445/9845
dc.language.isoengeng
dc.publisherThe American Physical Societyeng
dc.relation.isformatofReproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevB.45.10891cat
dc.relation.ispartofPhysical Review B, 1992, vol. 45, núm. 19, p. 10891-10901.eng
dc.relation.urihttp://dx.doi.org/10.1103/PhysRevB.45.10891
dc.rights(c) The American Physical Society, 1992eng
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Física de la Matèria Condensada)
dc.subject.classificationQuímica físicacat
dc.subject.classificationPolímerscat
dc.subject.classificationElastòmerscat
dc.subject.otherPhysical chemistryeng
dc.subject.otherPolymerseng
dc.subject.otherElastomerseng
dc.titleValence-bond treatment of distortions in polyacene polymerseng
dc.typeinfo:eu-repo/semantics/articleeng
dc.typeinfo:eu-repo/semantics/publishedVersion

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