Modeling vibrational resonance in linear hydrocarbon chainwith a mixed quantum-classical method

摘要

The quantum dynamics of a vibrational excitation in 'a linear hydrocarbon model system is studiedwith a new mixed quantum-classical method. The method is suited to treat many-body systemsconsisting of a low dimensional quantum primary part coupled to a classical bath. The dynamics ofthe primary part is governed by the quantum corrected propagator, with the corrections defined interms of matrix elements of zeroth order propagators. The corrections are taken to the classical limitby introducing the frozen Gaussian approximation for the bath degrees of freedom. The ability ofthe method to describe dynamics of multidimensional systems has been tested. The results obtainedby the method have been compared to previous quantum simulations performed with thequasiadiabatic path integral method.