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Portrait of Tönu Pullerits; Photo: Kennet Ruona

Tönu Pullerits

Professor

Portrait of Tönu Pullerits; Photo: Kennet Ruona

Unraveling the quantum state mixing of excitonic and vibronic excitations in the dynamics of molecular aggregates

Author

  • Marco Schroeter
  • Tönu Pullerits
  • Oliver Kuehn

Summary, in English

We report on dissipative exciton dynamics calculations performed with the hierarchy equations of motion method for a molecular heterodimer coupled to a multi-mode Brownian oscillator bath. Coherent oscillations in the population dynamics after initial excitation of the highest exciton state are analysed in terms of a Fourier spectrum and compared to the exciton-vibronic structure of the dimer eigen-states obtained by means of direct diagonalization. The signatures of Coulomb coupling induced quantum state mixing between elementary excitonic and vibronic excitations are systematically discussed for various Coulomb coupling strengths and Huang-Rhys factors.

Department/s

  • Chemical Physics

Publishing year

2015

Language

English

Pages

536-545

Publication/Series

Annalen der Physik

Volume

527

Issue

9-10

Document type

Journal article

Publisher

John Wiley and Sons

Topic

  • Theoretical Chemistry

Keywords

  • aggregates
  • molecular
  • exciton-vibrational coupling
  • Dissipative quantum dynamics

Status

Published

ISBN/ISSN/Other

  • ISSN: 0003-3804