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Accurate Born-Oppenheimer potentials for excited states of the hydrogen molecule
We report on highly accurate calculations of Born-Oppenheimer potentials for
excited states of the hydrogen molecule for all possible
combinations of singlet/triplet and gerade/ungerade symmetries up to . A
relative accuracy of (0.00002 cm) or better is achieved for
all the internuclear distances and all the excited states under consideration
-- an improvement with respect to the best results available in the literature
by at least 6 orders of magnitude. Presented variational calculations rely on
efficient evaluation of molecular integrals with the explicitly correlated
exponential basis in arbitrary precision arithmetics