On the computation of dipole transitions in the HD molecule. Part II

The nonadiabatic coupling with Π u states in the electronic ground state of the HD molecule is discussed. Formulas are given that facilitate the evaluation of Π u contributions to the energies and transition moments. Numerical computations are performed for all ν ≤ 4 vibrational and J ≤ 4 rotational levels yielding the Π u and Σ u 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.