Anna Spyszkiewicz | Searcharxiv

arXiv2022

Nuclear magnetic shielding in HD and HT

We perform a calculation of the nuclear magnetic shielding in HD and HT molecules, with complete and perturbative accounts for nuclear masses. From the difference in shielding, we obtain the deuteron and triton magnetic moments in agreement with the CODATA value, with the accuracy limited only by nuclear magnetic resonance measurements. Most importantly, our calculations indicate a potential for improved determination of nuclear magnetic moments.

physics.atom-ph↗

arXiv2019

Dissociation Energy of Molecular Hydrogen Isotopologues

The nonrelativistic energy together with relativistic and quantum electrodynamic corrections for all the molecular hydrogen isotopologues (D$_2$, T$_2$, HD, HT, DT) were evaluated without expansion in the electron-nucleus mass ratio. The obtained results significantly improve the uncertainty of theoretical predictions, reaching a value below 1 MHz for the total dissociation energy. We observe good agreement with the experimental value for D$_2$ and $3\,σ$ discrepancy for the HD molecule, while no experimental values for the dissociation energy of molecules involving tritium have yet been obtained.

physics.chem-ph↗