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

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DataCite Commons2023-09-28 更新2024-08-26 收录
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https://tandf.figshare.com/articles/dataset/Pre-Born_Oppenheimer_energies_leading-order_relativistic_and_QED_corrections_for_electronically_excited_states_of_molecular_hydrogen/21908653/1
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For rovibronic states corresponding to the <i>B</i> and B′1Σu+ 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 C1Πu and the EF,GK, and HH1Σg+ electronic states.
提供机构:
Taylor & Francis
创建时间:
2023-01-17
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