Hyperfine components of all rovibrational quadrupole transitions in the H2 and D2 molecules

Abstract

We report results of a theoretical investigation of hyperfine interactions in two homonuclear isotopologues of the hydrogen molecule: H2 and D2. We present a set of hyperfine coupling constants: spin-rotation, spin-spin dipole and, in the case of the D2 molecule, electric quadrupole coupling constants for all bound states of the two isotopologues in their ground electronic X1Σg+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 H2 and D2, which are used for tests of the quantum electrodynamics of molecules and searches for new physics beyond the Standard Model.