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

Authors :
Ferenc, D��vid
M��tyus, Edit
Publication Year :
2019
Publisher :
arXiv, 2019.

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.

Details

Database :
OpenAIRE
Accession number :
edsair.doi...........1c72067db3d7c5b0ea18f3c5d105b0d8
Full Text :
https://doi.org/10.48550/arxiv.1905.05525