Nuclear magnetization distribution effect in molecules: Ra+ and RaF hyperfine structure

Recently, the first laser spectroscopy measurement of the radioactive RaF molecule has been reported by Ruiz et al. [Nature 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 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 225Ra+ cation and 225RaF molecule. For the ground state of the 225RaF molecule, this contribution achieves 4%.