Charge-overlap effect on the electronic transitions in moderate-energy Li+–N2 and Li+–CO collisions

A potential model represented by the overlap of electron clouds of interacting particles has been applied to discuss the diabatic potential crossings, which lead to excitations of N2(a1Πg) and CO(A1Π) in moderate-energy Li+–N2 and Li+–CO collisions, at the specific molecular orientations of γ=0° and 180° (linear configuration). The potential crossings in the overlap model originate from the hole produced by the promotion of an electron in the outer σ molecular orbitals (MOs) of the N2 and CO molecules.