Semiclassical scattering on conical intersections

Andrei Piryatinski; Misha Stepanov; Sergei Tretiak; Vladimir Chernyak

doi:10.1103/PhysRevLett.95.223001

Semiclassical scattering on conical intersections

Andrei Piryatinski
, Misha Stepanov
, Sergei Tretiak
, Vladimir Chernyak

Los Alamos National Laboratory

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

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 â., 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.

Original language	English
Article number	223001
Journal	Physical Review Letters
Volume	95
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevLett.95.223001
State	Published - Nov 25 2005

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10.1103/PhysRevLett.95.223001

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title = "Semiclassical scattering on conical intersections",

abstract = "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 {\^a}., 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.",

author = "Andrei Piryatinski and Misha Stepanov and Sergei Tretiak and Vladimir Chernyak",

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AU - Piryatinski, Andrei

AU - Stepanov, Misha

AU - Tretiak, Sergei

AU - Chernyak, Vladimir

PY - 2005/11/25

Y1 - 2005/11/25

N2 - 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 â., 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.

AB - 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 â., 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.

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DO - 10.1103/PhysRevLett.95.223001

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VL - 95

JO - Physical Review Letters

JF - Physical Review Letters

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M1 - 223001

ER -

Semiclassical scattering on conical intersections

Abstract

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