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On nonadiabatic transitions and the Wigner path integral

机译:On nonadiabatic transitions and the Wigner path integral

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We continue our study of dynamics in terms of the Wigner path integral. We investigate how nonadiabatic electronic transitions are described in the formalism. We find, using the approximation of Miller and George for the reduced propagator, and the classical path approximation for the nuclear degrees of freedom (i.e., assuming nuclear localization), that the Wigner path integral leads to a Tullyndash;Preston surface hopping model. We discuss the relation of this result to general classically forbidden processes and to the dynamics of molecular systems in intense laser fields.

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