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

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Dashevskaya,  E. I.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Nikitin,  E. E.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Troe,  H. J.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Citation

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.


Cite as: http://hdl.handle.net/21.11116/0000-0000-F4C8-B
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.