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Correlation Effects in the Spectra of Soliton Containing Polyenes

  • J. Fagerström
  • S. Stafström
Conference paper
Part of the Springer Series in Solid-State Sciences book series (SSSOL, volume 107)

Abstract

Excitation energies in soliton containing polyenes are calculated using the Intermediate Neglect of Differential Overlap (INDO) method combined with Configuration Interaction (CI). Electronic transitions involving the soliton ”midgap” state are studied for charged solitons both with and without the counterion present. A screened version of the Ohno effective Coulomb potential is used in parallel to the usual Ohno potential in order to incorporate the additional screening due to electrons on neighboring chains. This screening is observed to cause a more localized excitation, i.e. to increase the electron-hole interaction.

Keywords

Configuration Interaction Additional Screening Soliton State Excitation Property Charged Soliton 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1992

Authors and Affiliations

  • J. Fagerström
    • 1
  • S. Stafström
    • 1
  1. 1.Department of Physics, IFMLinköping UniversityLinköpingSweden

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