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Vibronic mass computation for the $EF$-$GK$-$H\bar{H}$ $^1Σ_\text{g}^+$ manifold of molecular hydrogen (2201.13205v2)
Published 31 Jan 2022 in physics.chem-ph and quant-ph
Abstract: 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 $EF$-$GK$-$H\bar{H}$-$S5$-$S6$ $1\Sigma_\text{g}+$ manifold of the hydrogen molecule. Initial results are reported for the vibronic energies. Necessary further improvements and further developments are discussed.