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arXiv · 1905.05525

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

Dávid Ferenc·Edit Mátyus
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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.

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Dávid Ferenc, Edit Mátyus. 2019-05-14. Non-adiabatic mass correction for excited states of molecular hydrogen: improvement for the outer-well $H\bar{H}\ ^1\Sigma_\mathrm{g}^+$ term values. https://doi.org/10.1063/1.5109964

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