Collective excitation dynamics and polaron formation in molecular aggregates
(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:
https://lup.lub.lu.se/record/325766
- author
- Dahlbom, Mats LU ; Beenken, Wichard LU ; Sundström, Villy LU and Pullerits, Tönu LU
- organization
- publishing date
- 2002
- 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
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
- id
- bbd94a69-66ca-492d-ace5-3ba3392b2d81 (old id 325766)
- date added to LUP
- 2016-04-01 16:27:10
- date last changed
- 2022-01-28 19:50:25
@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}},
doi = {{10.1016/S0009-2614(02)01372-6}},
volume = {{364}},
year = {{2002}},
}