Preliminary Study on Kinetic Energy Distributions of Ar+ Fragments Resulting From Ar3+ Visible Photodissociation

Abstract

According to a strategy which involves DIM excitonic Hamiltonian, DIM-like transition dipole moments, realistic dynamical propagations with the HWD method (Hemiquantal dynamics with the Whole DIM basis), and the Wigner function to weight the initial conditions, a non-empirical theoretical study of the kinetic energy distribution of the Ar+ photofragments is performed for three total energies. The results illustrate the dominant symmetric stretching motion and the importance of non-adiabatic effects in the Ar3+ dissociation dynamics.