Dataset for Wavepacket dynamics and quantum scattering in spin-orbit induced excitation and quenching in N+(3P)-He(1S) and N+1D)-He(1S) collisions

The non-adiabatic wavepacket dynamics is used to calculate the excitation and quenching cross sections in the N+ (3 P)-He(1 S) and N+ (1 D)-He(1 S) collisions using potential energy curves and spin-orbit coupling elements calculated ab initio. The results are verified by comparison with cross sections calculated by solving the time-independent coupled Schrödinger equation with the logarithmic derivative method, as well as with cross sections calculated semi-classically using the Landau-Zener method. The comparison shows that the wavepacket dynamics can be used for both the excitation and quenching processes at energies ranging from 0.01-0.02 Hartree above the activation energy up to the energies of the order of 10 Hartree.