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Landau-Zener-Stueckelberg theory nonadiabatic transition

For example, the ZN theory, which overcomes all the defects of the Landau-Zener-Stueckelberg theory, can be incorporated into various simulation methods in order to clarify the mechanisms of dynamics in realistic molecular systems. Since the nonadiabatic coupling is a vector and thus we can always determine the relevant one-dimensional (ID) direction of the transition in multidimensional space, the 1D ZN theory can be usefully utilized. Furthermore, the comprehension of reaction mechanisms can be deepened, since the formulas are given in simple analytical expressions. Since it is not feasible to treat realistic large systems fully quantum mechanically, it would be appropriate to incorporate the ZN theory into some kind of semiclassical methods. The promising semiclassical methods are (1) the initial value... [Pg.96]

The problem of nonadiabatic tunneling in the Landau-Zener approximation has been solved by Ovchinnikova [1965]. For further refinements of the theory beyond this approximation see Laing et al. [1977], Holstein [1978], Coveney et al. [1985], Nakamura [1987]. The nonadiabatic transition probability for a more general case of dissipative tunneling is derived in appendix B. We quote here only the result for the dissipationless case obtained in the Landau-Zener limit. When < F (Xe), the total transition probability is the product of the adiabatic tunneling rate, calculated in the previous sections, and the Landau-Zener-Stueckelberg-like factor... [Pg.55]


See other pages where Landau-Zener-Stueckelberg theory nonadiabatic transition is mentioned: [Pg.2]    [Pg.9]   
See also in sourсe #XX -- [ Pg.96 , Pg.97 ]




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Landau-Zener

Landau-Zener theory

Landau-Zener transition

Landau-Zener-Stueckelberg

Stueckelberg

Theory nonadiabatic

Zener

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