Abstract
Born-Oppenheimer (BO) potential energy curves for the S 1Δ g and s 3Δ g states of the hydrogen molecule have been computed using explicitly correlated wavefunctions in elliptic coordinates. The energies of the vibrational levels and rotational constants for both states have been computed. The results are compared with the available experimental data, and it appears that the discrepancy between theory and experiment is mainly mass-dependent. This indicates that the adiabatic and nonadiabatic effects are mainly responsible for it. In addition, the previously published BO energy for j 3Δ g state of H 2 at R = 1.2 Bohr, which has been found to be wrong, is corrected in this paper.
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