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A dynamic model for exciton self-trapping in conjugated polymers. I. Theory
In this article we present a time-dependent quantum/classical model for the dynamics of excitons in photoexcited conjugated polymer systems. Within this model, the excitation is treated quantum mechan...
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A dynamic model for exciton self-trapping in conjugated polymers. II. Implementation

J. Chem. Phys. 112, 5410 (2000); doi:10.1063/1.481126

Issue Date: 22 March 2000 | See: Erratum

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Mark N. Kobrak and Eric R. Bittner
Department of Chemistry, University of Houston, Houston, Texas 77204
We examine the electronic and vibrational dynamics of a model conjugated polymer using a particle–hole treatment for electronic excitation described in Ref. . We observe the transition from a delocalized free exciton state to a self-trapped exciton, and compare the characteristics of the process of localization to those predicted by existing theories. We find that the reaction path to self-trapping involves a well-defined intermediate state, complicating the process of cooling for the self-trapped exciton. We also find that high-energy excitons do not couple strongly to the lattice, and therefore do not self-trap. ©2000 American Institute of Physics.
History: Received 3 September 1999; accepted 20 December 1999
Permalink: http://link.aip.org/link/?JCPSA6/112/5410/1
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ERRATA and EDITORIALLY RELATED

Erratum
  1. Erratum: "A dynamic model for exciton self-trapping in conjugated polymers. II. Implementation" [J. Chem. Phys. 112, 5410 (2000)]
    Mark N. Kobrak et al.
    J. Chem. Phys. 113, 891 (2000)
Related Articles
  1. A dynamic model for exciton self-trapping in conjugated polymers. I. Theory
    Mark N. Kobrak et al.
    J. Chem. Phys. 112, 5399 (2000)

KEYWORDS and PACS

Keywords
PACS
  • 71.35.Aa
    Electronic structure Excitons and related phenomena Frenkel excitons and self-trapped excitons
  • 63.20.-e
    Lattice dynamics Phonons in crystal lattices
  • YEAR: 2000

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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