Abstract
Abstract The Born-Oppenheimer potential energy curve for the J 1 Δ g state of the hydrogen molecule was computed using highly flexible wavefunction in the form of a 60-term expansion in elliptic coordinates. The vibrational Schrodinger equation for the J state was solved for H 2 , HD, and D 2 . For H 2 the resulting energies are compared with the experimental values and it is shown that the adiabatic effects are likely to be responsible for the main part of the existing discrepancy between theoretical and experimental values. For HD the disagreement is too great to be attributable to approximations in the present work and therefore it is suggested that the J state of HD was incorrectly determined.
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