Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisions

摘要

The transition state resonances of the title reactions have been studied on the accurate many-body expansion (DMBE) potential energy surface for H_3 using two-dimensional (2D) and three-dimensional (3D) time-dependent wave packet propaga-tion methods.It is shown that the resonance energies are strongly associated with the vibrational threshold states of the molecular fragment obtained upon dissociation, both in the 2D and 3D calculations.However,although the two systems have the same threshold states, the resonance widths for the 2D D+HD collisions are found to be considerably that there is an apparent dimensional effect on the resonance widths of the heavy-light-heavy (HLH) reacation.