Decoherence and dissipation in a molecular system coupled to an environment: An application of semiclassical hybrid dynamics

Applying the recently developed semiclassical hybrid dynamics [Grossmann, J. Chem. Phys. 125, 014111 (2006)], we study the decay of interference patterns in the reduced density as well as of the purity in a Morse oscillator test system due to the interaction with a finite harmonic bath at zero temperature. In the case that the bath mimics a continuous Ohmic spectral density, in addition to the quantum classical transition induced by the interaction with the environment, we corroborate the existence of a blueshift due to the bath coupling, predicted by Pollak [Phys. Rev. A 33, 4244 (1986)]. Furthermore, the decoherence dynamics of cat states is confirmed to be faster than that of single coherent states and we show that for a resonant bath the dissipation leads to an increase in the decoherence rate as compared to the low frequency bath.