Abstract
The Transfer Matrix approach is used to treat the relaxed defect problem in trans-polyacetylene. We use a particular choice of parametrization for the hopping integrals, which is related to the existence of solitons in this material, to discuss its electronic structure. We obtain closed expressions for the density of states and for the wavefunctions associated to the localized state at any site of the chain.
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Work partially supported by the Brazilian Agencies Finep and CNPq.
On leave of absence from Departmento de Física, Pontifícia Universidade Católica, Cx.P. 38071, Rio de Janeiro, Brasil.
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de Melo, C.P., Brandi, H.S. & da Gama, A.A.S. Localized states in polymeric molecules III The electronic structure of polyacetylene. Theoret. Chim. Acta 63, 1–8 (1983). https://doi.org/10.1007/BF00549151
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DOI: https://doi.org/10.1007/BF00549151