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  Quantum Mechanical Wave Packet Dynamics at a Conical Intersection with Strong Vibrational Dissipation

Duan, H.-G., & Thorwart, M. (2016). Quantum Mechanical Wave Packet Dynamics at a Conical Intersection with Strong Vibrational Dissipation. The Journal of Physical Chemistry Letters, 7(3), 382-386. doi:10.1021/acs.jpclett.5b02793.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-C663-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-C664-3
Genre: Journal Article

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http://dx.doi.org/10.1021/acs.jpclett.5b02793 (Publisher version)
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 Creators:
Duan, Hong-Guang1, 2, 3, Author              
Thorwart, Michael2, 3, Author
Affiliations:
1Miller Group, Atomically Resolved Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938288              
2I. Institut für Theoretische Physik, Universität Hamburg, Jungiusstraße 9, 20355 Hamburg, Germany, ou_persistent22              
3The Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg, Germany, ou_persistent22              

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 Abstract: We derive a reduced model for the nonadiabatic quantum dynamics of an electronic wave packet moving through a conical intersection in the presence of strong vibrational damping. Starting from the dissipative two-state two-model model, we transform the tuning and the coupling mode to the bath. The resulting quantum two-state model with two highly structured environments is solved numerically exactly in the regime of strong vibrational damping. We find negative cross peaks in the ultrafast optical 2D spectra as clear signatures of the conical intersection. They arise from secondary excitations of the wave packet after having passed through the photophysical energy funnel. This feature is in agreement with recent transient absorption measurements of rhodopsin.

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Language(s): eng - English
 Dates: 2015-12-162016-01-112016-01-112016-02-04
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1021/acs.jpclett.5b02793
 Degree: -

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Title: The Journal of Physical Chemistry Letters
  Abbreviation : J. Phys. Chem. Lett.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 7 (3) Sequence Number: - Start / End Page: 382 - 386 Identifier: CoNE: /journals/resource/1948-7185