HeNe+: resolution of an apparent disagreement between experiment and theory

The potential energy curves for the valence states of the HeNe+ ion have been reinvestigated with the goal of resolving an apparent disagreement between experimental and theoretical values of the ground electronic state bond length and bond energy. It is found that the calculated rotational constants and vibrational spacings can be brought into accord with the experimental data by very slight adjustment of the long-range attractive parts of the calculated curves. Our recommended values for constants that represent the X state potential are: De=5200±200 cm−1, re=1.43±0.01 Å and ωe=911±10 cm−1.