Non-adiabatic mass correction for excited states of molecular hydrogen: improvement for the outer-well $H\bar{H}{}^1{\Sigma }_{\mathrm{g}}^{+}$ term values

Abstract

The mass-correction function is evaluated for selected excited states of the hydrogen molecule within a single-state non-adiabatic treatment. Its qualitative features are studied under the avoided crossing of the $EF$ with the $GK$ state and also for the outer well of the $H\bar{H}$ state. For the $H\bar{H}$ state, a negative mass correction is obtained for the vibrational motion near the outer minimum, which accounts for most of the deviation between experiment and earlier theoretical work.