Abstract
Adiabatic corrections to the Born-Oppenheimer potential energy curve for the B″ 1 Σ u + state of the hydrogen molecule has been computed using a 60-term variational wavefunction in the form of an expansion in elliptic coordinates and depending explicitly on the interelectronic distance. For three internuclear separations new Born-Oppenheimer energies are also given which represent corrections of the previously published values. For H 2 the adiabatic correction to the dissociation energy amounts to 57.5 cm −1. The computed dissociation energies for H 2, HD, and D 2 are by 23–25 cm −1 smaller than the experimental values, the discrepancy being probably due to the convergence error of the Born-Oppenheimer potential. A few lowest vibrational levels and vibrational quanta have been calculated for H 2, HD and D 2, and compared with the experimental results.
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