Precision calculation of the bound-electron factor in molecular hydrogen ions
Phys. Rev. A 112, 052813 – Published 12 November, 2025
DOI: https://doi.org/10.1103/cb1q-fhk5
Abstract
We calculate the bound-electron factor for a wide range of rovibrational states in the ground electronic state of the molecular hydrogen ions and . Relativistic and QED corrections of orders up to are taken into account. All contributions are calculated in a nonrelativistic QED framework, except for relativistic corrections of order and above, which are obtained by calculating the relativistic factor using a precise minmax finite element solution of the two-center Dirac equation. A relative accuracy of is achieved for the scalar −factor component, which represents an improvement by more than three orders of magnitude over previous calculations. These results are useful for internal state identification and rovibraional spectroscopy of single molecular hydrogen ions in Penning traps, and open an avenue toward precision tests of QED.