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arXiv · 2210.09653

Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen

Eszter Saly·Dávid Ferenc·Edit Mátyus
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Abstract

For rovibronic states corresponding to the $B$ and $B'\ ^1\Sigma_\text{u}^+$ electronic states of the hydrogen molecule, the pre-Born--Oppenheimer (four-particle) non-relativistic energy is converged to a 1-3 parts-per-billion relative precision. The four-particle non-relativistic energy is appended with leading-order relativistic, leading- and estimated higher-order quantum-electrodynamics corrections. The resulting term values referenced to the rovibronic ground state are obtained in an excellent agreement with the experimental results. Further results are reported and discussed for other rovibronic states assignable to the $C\ ^1\Pi_\text{u}$ and the $EF,GK,$ and $HH\ ^1\Sigma_\text{g}^+$ electronic states.

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Eszter Saly, Dávid Ferenc, Edit Mátyus. 2022-10-18. Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen. https://doi.org/10.1080/00268976.2022.2163714

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