EXCHANGE PROCESSES VIA ELECTRONIC NONADIABATIC TRANSITIONS - AN ACCURATE 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE F(P-2(1/2),P-2(3/2))+H-2 REACTIVE SYSTEMS

This Letter presents the first study yielding formally accurate three-dimensional quantum mechanical reactive probabilities for a reactive (exchange) process taking place via an electronic nonadiabatic transition. It uses a method based on the application of negative imaginary potentials (NIPs) that decouple all the asymptotes. Reactive and electronic nonadiabatic J = 0 transition probabilities were calculated for the F(P-2(1/2), P-2(3/2)) + H-2 system.