Theoretical investigation of the nonadiabatic interactions and the translational factors in proton-hydrogen collisions

Abstract

The interaction in the (${p}^{+}$, H) collision system is examined in terms of the exact ${\mathrm{H}}_{2}^{+}$ and H electronic states. The nonadiabatic interactions between the ${\mathrm{H}}_{2}^{+}$ electronic states which asymptotically go to the $n=1$ or $n=2$ atomic states are calculated together with the corresponding translational contributions. The question concerning the choice of the space-fixed and rotating atomic bases is investigated in relation to the long-range interactions. The adiabatic-diabatic question is discussed in connection with the noncrossing rule and dynamic correlations between the separated and united atomic states. With the aid of the calculated interactions, the "coupling hypothesis," which states that the nonadiabatic transitions are directly correlated with the closest approach of the electronic state energies, is examined. The characteristic features of the radial and rotational couplings are discussed in a phase-interference model.