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Tönu Pullerits. Portrait.

Tönu Pullerits

Professor

Tönu Pullerits. Portrait.

Collective excitation dynamics and polaron formation in molecular aggregates

Author

  • Mats Dahlbom
  • Wichard Beenken
  • Villy Sundström
  • Tönu Pullerits

Summary, in English

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.

Department/s

  • Chemical Physics

Publishing year

2002

Language

English

Pages

556-561

Publication/Series

Chemical Physics Letters

Volume

364

Issue

5-6

Document type

Journal article

Publisher

Elsevier

Topic

  • Atom and Molecular Physics and Optics

Status

Published

ISBN/ISSN/Other

  • ISSN: 0009-2614