Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues
Fuente:
arXiv
Saved in:
| Main Author: | |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866914149829705728 |
|---|---|
| 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 |