Hyperfine components of all rovibrational quadrupole transitions in the H$_{2}$ and D$_{2}$ molecules

TL;DR

This paper provides a comprehensive theoretical analysis of hyperfine interactions in H₂ and D₂ molecules, including coupling constants and detailed hyperfine component data for rovibrational transitions, aiding precision spectroscopy and fundamental physics tests.

Contribution

It offers the first complete set of hyperfine coupling constants and hyperfine component data for all rovibrational transitions in H₂ and D₂ molecules.

Findings

Calculated hyperfine coupling constants for all bound states.

Generated a detailed list of hyperfine components for over 16,000 transitions.

Facilitates accurate interpretation of molecular spectroscopy experiments.

Abstract

We report results of a theoretical investigation of hyperfine interactions in two homonuclear isotopologues of the hydrogen molecule: H$_{2}$ and D$_{2}$. We present a set of hyperfine coupling constants: spin-rotation, spin-spin dipole and, in the case of the D$_{2}$ molecule, electric quadrupole coupling constants for all bound states of the two isotopologues in their ground electronic $X^{1}\Sigma^{+}_{g}$ state. We provide a list of positions and intensities of 220 997 hyperfine components of 16 079 rovibrational quadrupole transitions of the O, Q and S branches. The positions and intensities of the hyperfine components are necessary for a reliable interpretation of accurate measurements of rovibrational transition frequencies in H$_{2}$ and D$_{2}$, which are used for tests of the quantum electrodynamics of molecules and searches for new physics beyond the Standard Model.