Quantum mechanical investigations of the collinear collisions F + H2 and F + D2 using the wavepacket approach

Fur a study of the quantum dynamics of the collinear collisions F + H₂ and F + D₂ a wavepacket approach is applied using three different semi-empirical potential functions due to Muckerman. The calculations give details of the time behaviour of the system and, by means of a careful energy analysis, information on the partitioning of the total energy into translational and vibrational parts as well as on mean populations of product vibrational states. Pronounced quantum effects are observed.