Ab initio study of the spin-orbit coupling between the A and b3Πu electronic states of Na2

Accurate ab initio representations of the ground X and the excited A and b3u electronic states of Na2 are computed along with the transition dipole moment between X and A and the spin-orbit coupling term between A and b3u. These data are used to simulate an experiment involving these three states to investigate the effect of spin-orbit coupling on the dynamics of a wave packet oscillating on the A stat