On the Vibrational Frequencies of the Hydrogen Molecule

The results of numerical calculations of the vibrational energy levels of the H 2 molecule in the ground electronic state are presented. These were obtained by solving the Schrödinger equation for the nuclear motion using the adiabatic potential calculated by Kolos and Wolniewicz (1965). In agreement with experiment, it was found that H 2 has 15 vibrational levels in the ground state. The vibrational transition frequencies agree with the experimental ones (Herzberg and Howe 1959) to better than one part in a thousand. For the lower levels, the remaining discrepancies can be accounted for using Van Vleck's (1936) estimate of the nonadiabatic frequency shifts. Results of similar calculations for D 2 and T 2 are also given.