Nuclear magnetization distribution effect in molecules: Ra${}^{+}$ and RaF hyperfine structure

Abstract

Recently the first laser spectroscopy measurement of the radioactive RaF molecule has been reported by Ruiz \textit{et al.} [Nature \textbf{581}, 396 (2020)]. This and similar molecules are considered to search for the New Physics effects. The radium nucleus is of interest as it is octupole-deformed and has close levels of opposite parity. The preparation of such experiments can be simplified if there are reliable theoretical predictions. It is shown that the accurate prediction of the hyperfine structure of the RaF molecule requires to take into account the finite magnetization distribution inside the radium nucleus. For atoms, this effect is known as the Bohr-Weisskopf (BW) effect. Its magnitude depends on the model of the nuclear magnetization distribution which is usually not well known. We show that it is possible to express the nuclear magnetization distribution contribution to the hyperfine structure constant in terms of one magnetization distribution dependent parameter: BW matrix element for $1s$-state of the corresponding hydrogen-like ion. This parameter can be extracted from the accurate experimental and theoretical electronic structure data for an ion, atom, or molecule without the explicit treatment of any nuclear magnetization distribution model. This approach can be applied to predict the hyperfine structure of atoms and \textit{molecules} and allows one to separate the nuclear and electronic correlation problems. It is employed to calculate the finite nuclear magnetization distribution contribution to the hyperfine structure of the ${}^{225}$Ra${}^{+}$ cation and ${}^{225}$RaF molecule. For the ground state of the ${}^{225}$RaF molecule, this contribution achieves 4\%.

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• Relativistic Fock space coupled cluster study of bismuth electronic structure to extract the Bi nuclear quadrupole moment
• The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: a theoretical study of Ba${}^{+}$, BaF, RaF and E120F
• Search for CP-violating nuclear magnetic quadrupole moment using the LuOH${}^{+}$ cation
• Accurate \textit{ab initio} calculations of RaF electronic structure indicate the need for more laser-spectroscopical measurements
• Electronic structure of ytterbium monohydroxide molecule to search for axionlike particles
• Laser-coolable AcOH${}^{+}$ ion for $\mathcal{C}\mathcal{P}$-violation searches
• The hyperfine anomaly in heavy atoms and its role in precision atomic searches for new physics
• Empirical determination of the Bohr-Weisskopf effect in cesium and improved tests of precision atomic theory in searches for new physics
• Pinning down electron correlations in RaF via spectroscopy of excited states and high-accuracy relativistic quantum chemistry
• The Bohr-Weisskopf effect: from hydrogenlike-ion experiments to heavy-atom calculations of the hyperfine structure
• Effect of nuclear magnetization distribution within the Woods-Saxon model: Hyperfine splitting in neutral Tl
• Ab initio study and assignment of electronic states in molecular RaCl
• Ab initio study of electronic states and radiative properties of the AcF molecule
• Revisited nuclear magnetic dipole and electric quadrupole moments of polonium isotopes
• Observation of the distribution of nuclear magnetization in a molecule
• Refined theoretical values of field and mass isotope shifts in thallium to extract charge radii of Tl isotopes
• Atomic calculations of hyperfine structure anomaly in gold
• Refined nuclear magnetic dipole moment of rhenium: ${}^{185}$Re and ${}^{187}$Re
• Isotope-shift factors with quantum electrodynamics effects for many-electron systems: A study of the nuclear charge radius of ${}^{26m}$Al
• The Bohr-Weisskopf effect in the potassium isotopes
• Theoretical characterisation of the barium II and radium II ions
• Relativistic atomic structure calculations in support of spectroscopy
• Theoretical determination of the ionization potentials of ScF, YF, LaF and AcF
• Smallness of the nuclear polarization effect in the hyperfine structure of heavy muonic atoms as a stimulus for next-generation experiments
• Global isotopic analysis of hyperfine-resolved rotational spectroscopic data for barium monofluoride, BaF
• Vacuum polarization corrections to hyperfine structure in many-electron atoms
• The hyperfine anomaly in mercury and test of the Moskowitz-Lombardi rule
• Laser Cooling and Hyperfine Measurements of Radium-225 Ions