Date Published:

FEB 5

Abstract:

A hybrid quantum/semiclassical simulation method is applied to the photodissociation dynamics of HCI in the Ar-HCI cluster. The method treats the hydrogen quantum mechanically, and the heavy atoms by semiclassical wavepackets. The dynamics of the H atoms if found to show resonances where the H atom rattles between the Ar and Cl atoms before leaving. Particularly interesting is the kinetic energy distribution of the H atom which shows a structure of pronounced peaks, associated with the resonance levels, while the absorption spectrum is structureless. The dynamics of the process is discussed.