English

Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues

Chemical Physics 2025-11-12 v2

Abstract

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 ren3\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 10510^{-5}cm1^{-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.

Keywords

Cite

@article{arxiv.2511.07053,
  title  = {Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues},
  author = {Jacek Komasa},
  journal= {arXiv preprint arXiv:2511.07053},
  year   = {2025}
}

Comments

Corrected typos