Ab initio potential-energy curves and radial and rotational couplings for the process N5++He→N4++He+

Abstract
Potential-energy curves of six Σ+1, two Π1, and one Δ1 states have been determined for the N5++He→N4++He+ process by means of ab initio calculations with configuration interaction. The matrix elements of the operator d/dR between the four Σ+1 states and the two Π1 states involved in the collisional process have been calculated by the rigorous finite-difference technique. A very peaked radial coupling matrix element is observed at 8.30 a.u. corresponding to an avoided crossing between the entry channel and the Σ+1 state dissociating to {N4+(3d)+He+}. Two other avoided crossings between Σ+1 states are observable at 7.50 and 6.35 a.u. Rotational and radial couplings involving Π1 states have also been determined.