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

• URL: http://arxiv.org/abs/2210.09653v3
• Date: Sun, 8 Jan 2023 12:47:09 GMT
• Title: Pre-Born-Oppenheimer energies, leading-order relativistic and QED corrections for electronically excited states of molecular hydrogen
• Authors: Eszter Saly, D\'avid Ferenc, Edit M\'atyus
• Abstract summary: For rovibronic states corresponding to the $B$ and $B' 1Sigma_textu+$ 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.
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• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• 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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