arXiv 2201.132052022-01physics.chem-phquant-ph

Vibronic mass computation for the $EF$-$GK$-$H\bar{H}$ $^1Σ_\text{g}^+$ manifold of molecular hydrogen

Edit Mátyus, Dávid Ferenc

DOI：: 10.1080/00268976.2022.2074905

英文摘要：

A variational procedure is described for the computation of the non-adiabatic mass-correction tensor applicable for multi-dimensional electronic manifolds. The 30-year-old computations of Wolniewicz, Dressler, and their co-workers are appended with the computed vibronic mass-correction functions corresponding to the $EF$-$GK$-$H\bar{H}$-$S5$-$S6$ $^1Σ_\text{g}^+$ manifold of the hydrogen molecule. Initial results are reported for the vibronic energies. Necessary further improvements and further developments are discussed.

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