Geometric phase effects in H+O2 scattering. II. Recombination resonances and state-to-state transition probabilities at thermal energies

The general vector potential (gauge theory) approach for including geometric phase effects in accurate 3D quantum scattering calculations in hyperspherical coordinates is applied to low-energy (thermal) H+O2 collisions. The hybrid DVR/FBR (discrete variable representation/finite basis representation) numerical technique is used to obtain accurate surface function solutions which include geometric phase effects due to the C2v conical intersection in HO2. The relevant potential coupling and overlap matrices are constructed and a log-derivative matrix of solutions to the coupled-channel radial equations is propagated and transformed to obtain the scattering matrix S. The results for zero total angular momentum (J=0) show significant shifts in the resonance energies and lifetimes. Significant changes in the state-to-state transition probabilities are also observed. The results indicate that geometric phase effects must be included for H+O2 scattering even at low energies.