Dynamical coupling of the diatom vibrational motions in collisions of N2 with N2+ Original Research Article

A three-dimensional quantum mechanical treatment of N2 + N2+ collisions has been performed. State-to-state cross sections for vibrational excitations of the products have been computed. These calculations include dynamical coupling of the diatom vibrational motions which arises from intermolecular forces. The results show a propensity for the energy of excitation to be distributed symmetrically between the products, as observed in experiments. By comparison with earlier classical trajectory studies, insight can be gained into the nature of classical-quantum correspondence in molecular collisions.