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>Semiclassical theory in phase space for molecular processes: Scattering matrix as a special case of phase space distribution function
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Semiclassical theory in phase space for molecular processes: Scattering matrix as a special case of phase space distribution function
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机译：Semiclassical theory in phase space for molecular processes: Scattering matrix as a special case of phase space distribution function
The dynamical characteristic function (DCF) introduced previously as a kind of phase space distribution function is generalized so as to give an overlap integral of two wave packets which are to be propagated on different potential energy hypersurfaces. The development of our new semiclassical theory is motivated by the fact that the scattering (S) matrix is just one of this kind of overlap integrals. In this theory the semiclassical DCF is evolved in time by running a pair of classical trajectories, which are determined by two different Hamiltonians, total scattering Hamiltonian of the system, and unperturbed final channel Hamiltonian. The DCF becomes an overlap integral of two wave packets, if these two trajectories coincide with each other in the exit region att=infin;. The validity of this semiclassical theory is shown to be ensured, if the oscillatory wave packets are employed to construct the DCF. TheSmatrix in the stationary state scattering theory is given as a superposition of the wave packet DCFrsquo;s.
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