A three-dimensional quantum mechanical study of the H+H2+→H2+H+ system: Competition between chemical exchange and inelastic processes

In this publication is presented a three-dimensional quantum mechanical study, within the coupled states approximation, of the process H+H2+(v1=0,j1)→H++H2. Both reactive (exchange) and inelastic processes were considered. The main findings are: (a) The charge transfer process takes place at large distances (∼3.5 Å) and so the reagents are essentially on the lower potential energy surface when they approach the close interaction region; (b) The main contributions to the reaction (exchange) are from large impact parameters; (c) The initial rotational states have at most a minor effect on the results (whether being charge transfer or chemical exchange); (d) The deep potential well in the interaction region of the lower surface has only a secondary effect on the results.