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AuthorSchulze, Jan
AuthorShibl, Mohamed F.
AuthorAl-Marri, Mohammed J.
AuthorKuhn, Oliver
Available date2021-09-01T10:03:35Z
Publication Date2016
Publication NameJournal of Chemical Physics
ResourceScopus
URIhttp://dx.doi.org/10.1063/1.4948563
URIhttp://hdl.handle.net/10576/22515
AbstractThe coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density. Different pathways of excitation energy flow are analyzed in terms of the reduced one-exciton density matrix, focussing on the role of vibrational and vibronic excitations. Distinct features due to both competing time scales of vibrational and exciton motion and vibronically assisted transfer are observed. The question of the effect of initial state preparation is addressed by comparing the case of an instantaneous Franck-Condon excitation at a single site with that of a laser field excitation. 2016 Author(s).
Languageen
PublisherAmerican Institute of Physics Inc.
SubjectDegrees of freedom (mechanics)
Excited states
Excitons
Laser excitation
Quantum theory
Spectral density
Electronic transition
Franck-Condon excitation
High-dimensional models
Quantum dynamics
Vibrational degrees of freedom
Vibrational dynamics
Vibrational modes
Vibronic excitation
Vibration analysis
TitleMulti-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex
TypeArticle
Issue Number18
Volume Number144
dc.accessType Abstract Only


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