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Collective excitation dynamics and polaron formation in molecular aggregates

Dahlbom, Mats LU ; Beenken, Wichard LU ; Sundström, Villy LU and Pullerits, Tönu LU (2002) In Chemical Physics Letters 364(5-6). p.556-561
Abstract
Real-space collective excitation dynamics in molecular aggregates is studied using a model where the electronic system is described via exciton theory with surface hopping. The nuclear dynamics are included using the Langevin equation where temperature and zero-point motions are entered via the fluctuation-dissipation theorem. Dynamic processes like exciton relaxation, localization, polaron formation and diffusion of self-trapped excitons, which commonly require different theories, are simultaneously described with our approach. Numerical simulations of small linear aggregates are performed. Contrary to the common view we show that exciton relaxation can temporarily increase exciton delocalization. The results are discussed based on the... (More)
Real-space collective excitation dynamics in molecular aggregates is studied using a model where the electronic system is described via exciton theory with surface hopping. The nuclear dynamics are included using the Langevin equation where temperature and zero-point motions are entered via the fluctuation-dissipation theorem. Dynamic processes like exciton relaxation, localization, polaron formation and diffusion of self-trapped excitons, which commonly require different theories, are simultaneously described with our approach. Numerical simulations of small linear aggregates are performed. Contrary to the common view we show that exciton relaxation can temporarily increase exciton delocalization. The results are discussed based on the photosynthetic light-harvesting pigment-protein complexes. (C) 2002 Elsevier Science B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Physics Letters
volume
364
issue
5-6
pages
556 - 561
publisher
Elsevier
external identifiers
  • wos:000178630800020
  • scopus:0037120752
ISSN
0009-2614
DOI
10.1016/S0009-2614(02)01372-6
language
English
LU publication?
yes
id
bbd94a69-66ca-492d-ace5-3ba3392b2d81 (old id 325766)
date added to LUP
2007-08-15 14:24:35
date last changed
2017-01-01 07:05:43
@article{bbd94a69-66ca-492d-ace5-3ba3392b2d81,
  abstract     = {Real-space collective excitation dynamics in molecular aggregates is studied using a model where the electronic system is described via exciton theory with surface hopping. The nuclear dynamics are included using the Langevin equation where temperature and zero-point motions are entered via the fluctuation-dissipation theorem. Dynamic processes like exciton relaxation, localization, polaron formation and diffusion of self-trapped excitons, which commonly require different theories, are simultaneously described with our approach. Numerical simulations of small linear aggregates are performed. Contrary to the common view we show that exciton relaxation can temporarily increase exciton delocalization. The results are discussed based on the photosynthetic light-harvesting pigment-protein complexes. (C) 2002 Elsevier Science B.V. All rights reserved.},
  author       = {Dahlbom, Mats and Beenken, Wichard and Sundström, Villy and Pullerits, Tönu},
  issn         = {0009-2614},
  language     = {eng},
  number       = {5-6},
  pages        = {556--561},
  publisher    = {Elsevier},
  series       = {Chemical Physics Letters},
  title        = {Collective excitation dynamics and polaron formation in molecular aggregates},
  url          = {http://dx.doi.org/10.1016/S0009-2614(02)01372-6},
  volume       = {364},
  year         = {2002},
}