The nonadiabatic coupling with Πu states in the electronic ground state of the HD molecule is discussed. Formulas are given that facilitate the evaluation of Πu contributions to the energies and transition moments. Numerical computations are performed for all ν ≤ 4 vibrational and J ≤ 4 rotational levels yielding the Πu and Σu nonadiabatic corrections. The variational wave functions are employed to compute the transition moments for the 0–ν bands with ν ≤ 4. The results are in good agreement with experimental data except in the case of the 0–ν band where the theoretical results are larger than the mean experimental moment by a factor of about 1.4.
Variational Wave Functions and Their Overlap with the Ground State
