Adiabatic vibrational matrix elements of R for HD+

Abstract

Using an adiabatic potential energy curve for the electronic ground state (²Σ⁺) of HD⁺, we determine vibrational wavefunctions, written as 30‐term combinations of Morse eigenfunctions, for various vibrational (v) and rotational (J) quantum numbers. These vibrational wavefunctions are then used to evaluate vibrational matrix elements of the internuclear separation (R) for various v and J values. An alternative calculation, first introduced by Tipping, is also investigated: namely, evaluating the matrix elements in terms of parameters of the initial potential energy curve. It is pointed out that these matrix elements of R make a dominating contribution to the dipole transition moments of HD⁺.