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  Uniform airy approximation for nonadiabatic transitions in a curve-crossing weak-coupling case.

Dashevskaya, E. I., Nikitin, E. E., & Troe, H. J. (2018). Uniform airy approximation for nonadiabatic transitions in a curve-crossing weak-coupling case. Zeitschrift für Physikalische Chemie, 232(3), 311-328. doi:10.1515/zpch-2017-1025.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0000-F4C8-B Version Permalink: http://hdl.handle.net/21.11116/0000-0003-479E-C
Genre: Journal Article

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2566295.pdf (Publisher version), 840KB
 
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 Creators:
Dashevskaya, E. I.1, Author              
Nikitin, E. E.1, Author              
Troe, H. J.1, Author              
Affiliations:
1Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society, ou_578625              

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Free keywords: curve-crossing
 Abstract: This work suggests a connection between Landau-Zener transition probabilities between two crossing potentials in the classically accessible WKB regime and Landau-Lifshitz transition probabilities in the classically inaccessible WKB regime. It is based on the uniform Airy (UAi) approximation which represents a generalization of quantum transition probabilities for linear crossing potentials with constant coupling. The performance of the UAi approximation is tested by comparison with distorted-wave probabilities for an exponential potential model and illustrated for potentials that determine the intersection of two ab initio vibronic potential surfaces of the NO-Ar system.

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Language(s): eng - English
 Dates: 2017-12-192018-03
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1515/zpch-2017-1025
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Title: Zeitschrift für Physikalische Chemie
Source Genre: Journal
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Pages: - Volume / Issue: 232 (3) Sequence Number: - Start / End Page: 311 - 328 Identifier: -