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Time-convolutionless master equation for mesoscopic electron-phonon systems

J. Chem. Phys. 125, 104906 (2006); doi:10.1063/1.2348869

Published 14 September 2006

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Andrey Pereverzev and Eric R. Bittner
Center for Materials Chemistry, Department of Chemistry, University of Houston, Houston, Texas 77204 and the Texas Center for Superconductivity, University of Houston, Houston, Texas 77204
The time-convolutionless master equation for the electronic populations is derived for a generic electron-phonon Hamiltonian. The equation can be used in the regimes where the golden rule approach is not applicable. The equation is applied to study the electronic relaxation in several models with the finite number of normal modes. For such mesoscopic systems the relaxation behavior differs substantially from the simple exponential relaxation. In particular, the equation shows the appearance of the recurrence phenomena on a time scale determined by the slowest mode of the system. The formal results are quite general and can be used for a wide range of physical systems. Numerical results are presented for a two level system coupled to Ohmic and super-Ohmic baths, as well as for a model of charge-transfer dynamics between semiconducting organic polymers. ©2006 American Institute of Physics
History: Received 19 June 2006; accepted 11 August 2006; published 14 September 2006
Permalink: http://link.aip.org/link/?JCPSA6/125/104906/1
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Supplemental Material

KEYWORDS and PACS

Keywords
PACS
  • 71.38.-k
    Polarons and electron–phonon interactions
  • 71.20.Rv
    Electronic structure of polymers and organic compounds
  • YEAR: 2006

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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  24. See EPAPS Document No. E-JCPSA6-125-521636 for a complete list of the parameters for Hamiltonian in Eq. 1 describing this system. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.alp.org/pubservs/epaps.html). [EPAPS]

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