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APS » Journals » Phys. Rev. Lett. » Volume 95 » Issue 22
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Phys. Rev. Lett. 95, 223001 (2005) [4 pages]

Semiclassical Scattering on Conical Intersections

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Andrei Piryatinski1,*, Misha Stepanov1,2, Sergei Tretiak1, and Vladimir Chernyak3
1Center for Nonlinear Studies, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
2Institute of Automation and Electrometry, Novosibirsk 630090, Russia
3Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, USA

Received 18 November 2004; published 21 November 2005

We apply a semiclassical approach to the scattering problem of a vibrational wave packet in the vicinity of a conical intersection of electronic energy surfaces and derive analytical expressions for the scattering matrix. The latter are valid when the scattering length that scales as √ℏ is small and a wave packet passes through the scattering region with a constant velocity. The analytical results are in excellent agreement with numerical simulations for a realistic set of parameters.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.95.223001
DOI:
10.1103/PhysRevLett.95.223001
PACS:
31.50.Gh, 31.15.Qg, 82.20.Kh

*Electronic address: apiryat@lanl.gov

 
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