Rovibrational computations for the He$_2$ a $^3Σ_\mathrm{u}^+$ state including non-adiabatic, relativistic, and QED corrections
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| Main Authors: | , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866915812656283648 |
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| author | Margócsy, Ádám Rácsai, Balázs Jeszenszki, Péter Mátyus, Edit |
| author_facet | Margócsy, Ádám Rácsai, Balázs Jeszenszki, Péter Mátyus, Edit |
| contents | A potential energy curve (PEC) accurate to a fraction of 1 ppm ($1:10^6$) is computed for the $^3Σ_\mathrm{u}^+$ state of He$_2$ endowed with relativistic and QED corrections. The nuclear Schrödinger equation is solved on this PEC with diagonal Born-Oppenheimer and non-adiabatic mass corrections to obtain highly accurate rotational-vibrational levels. The computed rovibrational intervals and fine-structure splittings, spanning over several orders of magnitude in energy, are found to be in remarkable agreement with available high-resolution spectroscopy data. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2506_19116 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Rovibrational computations for the He$_2$ a $^3Σ_\mathrm{u}^+$ state including non-adiabatic, relativistic, and QED corrections Margócsy, Ádám Rácsai, Balázs Jeszenszki, Péter Mátyus, Edit Chemical Physics A potential energy curve (PEC) accurate to a fraction of 1 ppm ($1:10^6$) is computed for the $^3Σ_\mathrm{u}^+$ state of He$_2$ endowed with relativistic and QED corrections. The nuclear Schrödinger equation is solved on this PEC with diagonal Born-Oppenheimer and non-adiabatic mass corrections to obtain highly accurate rotational-vibrational levels. The computed rovibrational intervals and fine-structure splittings, spanning over several orders of magnitude in energy, are found to be in remarkable agreement with available high-resolution spectroscopy data. |
| title | Rovibrational computations for the He$_2$ a $^3Σ_\mathrm{u}^+$ state including non-adiabatic, relativistic, and QED corrections |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2506.19116 |