High-accuracy prediction of atomic properties of germanium and a systematic estimation of uncertainty

The relativistic Fock-space coupled-cluster method¹ in combination with the finite-field approach² was used to calculate electric field gradients and magnetic hyperfine fields for the 4p² and 4p5s states of germanium. Nuclear dipole and quadrupole moments were determined for isotopes of germanium by combining these calculations with hyperfine parameter measurements at ISOLDE-CERN.³ The effects of different computational parameters were investigated and used to determine the uncertainty on the calculated values.

¹ U. Kaldor and E. Eliav, Adv. Quantum Chem. 31, 313 (1998);

² H.J. Monkhorst, Int. J. Quantum Chem., 12: 421-432 (1977);

³ A. Kanellakopoulos, ..., M.L. Reitsma et al., Phys. Rev. C 102, (2020).