The ns and nd Rydberg states of O2 described by Hund's case (e)

Using Hund's case (e) representation, we have obtained a simulation of the 5s Rydberg states of O(2) for J=2 by fitting the experimental data obtained recently by Sheard et al. [J. Chem. Phys. 118, 8781 (2003)]. Our analysis permits us to include evidence of not only the mixing of Hund's case (a) states by spin-orbit interaction, but also by L and S uncouplings. This mixing is even more important for the nd Rydberg states. For the 3d Rydberg state, J=2, we have been able to suggest for the first time an assignment for both the 3d sigma (1)Pi(g) and the 3d delta (1)Pi(g) states.