Time-dependent semiclassical scattering dynamics: Electronically elastic and charge-transfer study of H++O2 at keV collision energies

The collision dynamics of H⁺ with O₂ have been carried out at high collision energies Ec.m.=0.096--4.848 keV (Elab=0.1--5.0 keV) within the time-dependent semiclassical straight line trajectory approach. For high collision energy, ions (projectiles) are expected to follow a straight line trajectory, and the collision time scales allow us to consider sudden approximations for the rovibrational motions. Therefore, the dynamical calculations have been performed using rigid-rotor potential-energy surfaces. The ab initio adiabatic potential-energy surfaces exhibit nonadiabatic interactions between the entrance and charge-transfer (CT) channels. Dynamical attributes such as differential cross sections and integral cross sections for the electronically elastic and the CT processes have been calculated using the quasidiabatic surfaces and potential couplings and have been compared with the available data from the scattering experiments.