Journal of Chemical Physics, Vol.100, No.12, 9007-9017, 1994
Coherent and Dissipative Wave-Packet Dynamics in Cyclic Model Systems with 4 Equivalent Potential Minima
The dynamics of cyclic systems with four equivalent potential minima is studied here from two different points of view. The solution of the time-dependent Schrodinger equation provides insight into the coherent wave packet motion. The resulting reaction mechanism involves relocalization between opposite, not neighboring potential minima. The inclusion of an environment within a density matrix description leads to dissipation and therefore to a transition from coherent to incoherent dynamics. The theoretical considerations are applied to a simple model of the cyclic motion of a proton in a molecular framework.