Quantum dynamics study on the exchange H + OH+ reaction

The time-dependent wave packet quantum method under centrifugal sudden (CS) approximation has been employed to investigate the dynamics of the exchange reaction H + OH+ based on an accurate potential energy surface [Martínez et al., J. Chem. Phys. 120 (2004) 4705]. The reaction probability dependence with collision energy, the weighed partial wave contributions to the integral cross sections, and the integral cross sections of the exchange reaction H + OH+ in the collision energy range of 0.0–1.0 eV with reactant OH+ in the rotational state ji = 0 and vibrational states vi = 0–4 are calculated. The calculated time evolution of CS probability density distribution in logarithmic scales at total angular momentum J = 0 clearly indicates that the convex structure in the reaction path of the exchange H + OH+ reaction has significant influence on the dynamics of title reaction.