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Figure 1. Potential energy curve for the excited valence states of
Mg2. The dashed portions of the
1 g and
2 1 g+ 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.
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