Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866914149829705728 |
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| author | Komasa, Jacek |
| author_facet | Komasa, Jacek |
| contents | The quantum electrodynamic Araki-Sucher correction arising from the interaction between electrons and nuclei is calculated for rovibrational energy levels of the hydrogen molecule and its isotopologues. The corresponding expectation value $\langle r_{en}^{-3}\rangle$ is evaluated across a wide range of internuclear distances using the Born-Oppenheimer approximation. The electronic wave function is represented as a linear combination of explicitly correlated Gaussian basis functions. This correction contributes approximately tenths of a megahertz (about $10^{-5}$cm$^{-1}$) to the dissociation energy of rovibrational levels and to the transitions between them. Given recent spectroscopic measurements with an accuracy of 10 kHz, this correction is necessary to achieve sub-MHz agreement between theory and experiment. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_07053 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues Komasa, Jacek Chemical Physics The quantum electrodynamic Araki-Sucher correction arising from the interaction between electrons and nuclei is calculated for rovibrational energy levels of the hydrogen molecule and its isotopologues. The corresponding expectation value $\langle r_{en}^{-3}\rangle$ is evaluated across a wide range of internuclear distances using the Born-Oppenheimer approximation. The electronic wave function is represented as a linear combination of explicitly correlated Gaussian basis functions. This correction contributes approximately tenths of a megahertz (about $10^{-5}$cm$^{-1}$) to the dissociation energy of rovibrational levels and to the transitions between them. Given recent spectroscopic measurements with an accuracy of 10 kHz, this correction is necessary to achieve sub-MHz agreement between theory and experiment. |
| title | Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2511.07053 |