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Zero-point energy , nonadiabatic quantum dynamics

All approaches for the description of nonadiabatic dynamics discussed so far have used the simple quasi-classical approximation (16) to describe the dynamics of the nuclear degrees of freedom. As a consequence, these methods are in general not able to account for processes or observables for which quantum effects of the nuclear degrees of freedom are important. Such processes include nuclear tunneling, interference effects in wave-packet dynamics, and the conservation of zero-point energy. In contrast to quasi-classical approximations, semiclassical methods take into account the phase exp iSi/h) of a classical trajectory and are therefore capable—at least in principle—of describing quantum effects. [Pg.340]


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