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arXiv 2210.09653physics.chem-phquant-ph
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氢分子电子激发态的Pre-Born-Oppenheimer能量、首阶相对论修正和QED修正

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

Eszter Saly, Dávid Ferenc, Edit Mátyus

摘要:

对于氢分子的$B$和$B'\ ^1Σ_\text{u}^+$电子态所对应的旋振电子态,预Born-Oppenheimer(四粒子)非相对论能量收敛到十亿分之1-3的相对精度。四粒子非相对论能量附加了领先阶相对论、领先阶和估计的高阶量子电动力学修正。所得到的旋转振动基态的项值与实验结果非常吻合。进一步的结果进行了报告和讨论的其他rovibronic国家分配的$C\ ^1Π_\text{u}$和$EF,GK,$和$HH\ ^1Σ_\text{g}^+$电子状态。

英文摘要:

For rovibronic states corresponding to the $B$ and $B'\ ^1Σ_\text{u}^+$ 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 $C\ ^1Π_\text{u}$ and the $EF,GK,$ and $HH\ ^1Σ_\text{g}^+$ electronic states.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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