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  Signature of the geometric phase in the wave packet dynamics on hypersurfaces

Duan, H.-G., Qi, D., Sun, Z.-R., Miller, R. J. D., & Thorwart, M. (2018). Signature of the geometric phase in the wave packet dynamics on hypersurfaces. Chemical Physics, 515, 21-27. doi:10.1016/j.chemphys.2018.09.016.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-AE13-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-D017-5
Genre: Journal Article

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 Creators:
Duan, H.-G.1, 2, 3, Author              
Qi, D.1, 4, Author              
Sun, Z.-R.4, Author
Miller, R. J. D.1, 3, 5, Author              
Thorwart, M.2, 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, ou_persistent22              
3The Hamburg Center for Ultrafast Imaging, ou_persistent22              
4State Key Laboratory of Precision Spectroscopy, East China Normal University, ou_persistent22              
5The Departments of Chemistry and Physics, University of Toronto, ou_persistent22              

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 Abstract: We study the nonadiabatic dynamics of an electronic wave packet on two coupled potential energy surfaces. We focus on the difference between two configurations, the presence of a conical intersection (CI) and an avoided crossing (AC). We project the time-dependent dynamics onto the tuning and the coupling modes. For weak intersurface coupling, no significant difference appears. However, significant differences in the deactivation of the wave packet arise for increasing intersurface coupling. Most striking is a strong destructive interference of the two pathways of the wave packet which differ by a factor of π when moving around the CI. This yields to a vanishing of the wave packet in the CI configuration, which does not exist with an avoided crossing. By this, it is straightforward to identify the geometric phase in the wave packet dynamics and to use it to distinguish a CI from an AC configuration.

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Language(s): eng - English
 Dates: 2018-04-252018-09-132018-09-152018-11-14
 Publication Status: Published in print
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.chemphys.2018.09.016
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Title: Chemical Physics
  Other : Chem. Phys.
Source Genre: Journal
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Publ. Info: Amsterdam : Elsevier B.V.
Pages: - Volume / Issue: 515 Sequence Number: - Start / End Page: 21 - 27 Identifier: ISSN: 0301-0104
CoNE: https://pure.mpg.de/cone/journals/resource/954925509371