Figure 1. Potential energy curve for the excited valence states of Mg2. The dashed portions of the 1Πg and 2 1Σg+ curves indicate regions that have not been investigated directly, but are estimated by joining known short-range and long-range behavior.
Figure 2. Excited triplet and singlet potential curves of the Mg2 dimer dissociating to 3P + 1S and 1P + 1S asymptotics as a function of internuclear separation obtained by ab initio complete-active-space and coupled-cluster method.