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  Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection

Daoud, H., Joubert-Doriol, L., Izmaylov, A. F., & Miller, R. J. D. (2018). Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection. Chemical Physics, 515, 28-35. doi:10.1016/j.chemphys.2018.08.034.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0002-BF57-6 Version Permalink: https://hdl.handle.net/21.11116/0000-0002-BF58-5
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 Creators:
Daoud, H.1, Author
Joubert-Doriol, L.2, 3, Author
Izmaylov, A. F.2, 3, Author
Miller, R. J. D.4, 5, Author           
Affiliations:
1Department of Physics, University of Toronto, ou_persistent22              
2Department of Physical and Environmental Sciences, University of Toronto Scarborough, ou_persistent22              
3Chemical Physics Theory Group, Department of Chemistry, University of Toronto, ou_persistent22              
4Departments of Physics and Chemistry, University of Toronto, ou_persistent22              
5Miller Group, Atomically Resolved Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938288              

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 Abstract: Conical intersections (CIs) have been widely studied using spectroscopic techniques. However, CIs have mainly been identified by rapid internal conversion transitions that take place after the photoexcitation. Such identifications cannot distinguish various types of intersections as well as to separate the actual intersection from an avoided crossing. In this paper, we investigate how ultrafast IR laser pulses can be utilized to stimulate nuclear dynamics revealing geometric phase features associated with CIs. We consider two low-dimensional nonadiabatic models to obtain optimal two- and three-pulse laser sequences for stimulating nuclear dynamics necessary for the CI identification. Our results provide insights on designing non-linear spectroscopic schemes for subsequent probes of the nuclear wavepackets by ultrafast electron diffraction techniques to unambiguously detect CIs in molecules.

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Language(s): eng - English
 Dates: 2018-04-192018-08-152018-08-252018-11-14
 Publication Status: Issued
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.chemphys.2018.08.034
arXiv: 1804.09863
 Degree: -

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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: 28 - 35 Identifier: ISSN: 0301-0104
CoNE: https://pure.mpg.de/cone/journals/resource/954925509371