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Phys. Rev. A 57, 2672–2682 (1998)

Semiclassical theory of nonadiabatic transitions in a two-state exponential model

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Vladimir I. Osherov1, Vladimir G. Ushakov1, and Hiroki Nakamura2
1Institute of Chemical Physics, Russian Academy of Sciences, Chernogolovska, Moscow 142432, Russia
2Division of Theoretical Studies, Institute for Molecular Science, Myodaiji, Okazaki 444, Japan

Received 10 September 1997; published in the issue dated April 1998

A general two-state exponential potential model is solved with use of the Bessel transformation and the WKB (Wentzel-Kramers-Brillouin) type semiclassical approximation. Accurate expressions are obtained for the nonadiabatic transition probability for one passage of the transition point and for the two dynamical phases. Functionalities of these quantities in terms of two basic parameters are the same as those obtained before by Nikitin. The two basic parameters are, however, expressed in more general and accurate forms. Accuracies of these expressions are numerically confirmed. The three quantities, the nonadiabatic transition probability and the two dynamical phases, constitute the nonadiabatic transition matrix and can be used to describe various (spectroscopic as well as scattering) processes not only for a two-state but also for a multichannel system. A possible generalization of the present theory is also briefly discussed to formulate a unified theory that can cover both Landau-Zener-Stueckelberg and Rosen-Zener-Demkov cases within the adiabatic state representation.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.57.2672
DOI:
10.1103/PhysRevA.57.2672
PACS:
03.65.Nk