Bond-Order-Wave versus Spin-Density-Wave Dimerization in Polyacetylene

  • G. M. Pastor
  • M. B. Lepetit


The dimerization of polyacetylene is studied in the framework of a distance dependent Hubbard Hamiltonian for the valence π electrons. The underlying one-dimensional many-body problem is solved numerically using the density matrix renormalization group (DMRG) method and the resulting ground-state energy is optimized in order to determine the dimerization δ and the average bond-length . The strength of the Coulomb repulsion U/t is varied from the uncorrelated or Hückel limit all over to the strongly correlated or Heisenberg case. While is not significantly affected by the value of U/t, δ shows a remarkable non-monotonic behavior. The differences between the bond-order-wave (small U/t) and the spin-Peierls (large U/t) regimes are discussed.


Near Neighbor Coulomb Repulsion Infinite Chain Ethylene Molecule Density Matrix Renormalization Group 
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Copyright information

© Springer Science+Business Media New York 1998

Authors and Affiliations

  • G. M. Pastor
    • 1
  • M. B. Lepetit
    • 1
  1. 1.Laboratoire de Physique Quantique Unité Mixte de Recherche 5626 du CNRSUniversité Paul SabatierToulouse CedexFrance

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