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

Schroeter, Marco; Pullerits, Tönu LU and Kuehn, Oliver (2015) In Annalen der Physik 527(9-10). p.536-545
Abstract
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.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
aggregates, molecular, exciton-vibrational coupling, Dissipative quantum dynamics
in
Annalen der Physik
volume
527
issue
9-10
pages
536 - 545
publisher
John Wiley & Sons
external identifiers
  • wos:000363688100003
  • scopus:84946429473
ISSN
0003-3804
DOI
10.1002/andp.201500148
language
English
LU publication?
yes
id
2f394b18-4dba-4176-9090-b8ddf1affce0 (old id 8401063)
date added to LUP
2015-12-21 08:14:42
date last changed
2017-09-24 04:15:45
@article{2f394b18-4dba-4176-9090-b8ddf1affce0,
  abstract     = {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.},
  author       = {Schroeter, Marco and Pullerits, Tönu and Kuehn, Oliver},
  issn         = {0003-3804},
  keyword      = {aggregates,molecular,exciton-vibrational coupling,Dissipative quantum dynamics},
  language     = {eng},
  number       = {9-10},
  pages        = {536--545},
  publisher    = {John Wiley & Sons},
  series       = {Annalen der Physik},
  title        = {Unraveling the quantum state mixing of excitonic and vibronic excitations in the dynamics of molecular aggregates},
  url          = {http://dx.doi.org/10.1002/andp.201500148},
  volume       = {527},
  year         = {2015},
}