The X 1Σ+g state vibration-rotational energies of the H2, HD, and D2 molecules

Abstract

The energies of all the bound vibrational states of H₂, HD, and D₂ with rotational quantum numbers up to J=5 are calculated. Nonadiabatic, relativistic, and radiative corrections are taken into account with an accuracy of the order of 0.01 cm⁻¹. The resulting theoretical ground state dissociation energies are 36 118.01, 36 405.73, and 36 748.32 cm⁻¹ for H₂, HD, and D₂, respectively.