Ab initio calculations of the hyperfine structure of ^{109}Cd, ^{109}Cd^{+} and reevaluation of the nuclear quadrupole moment Q(^{109}Cd)
Abstract
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient (EFG)) to the electric quadrupole hyperfine interaction constants B for the $5{p}^{2}\!{P}_{3/2}^{o}$ state of ^{109}Cd^{+} ion and the $5s5{p}^{3}\!{P}_{1,2}^{o}$ states of neutral ^{109}Cd atom were performed. To probe the sensitivity of B to different electron correlation effects, six sets of variational multiconfiguration DiracHartreeFock and relativistic configuration interaction calculations employing different strategies were carried out. The calculated EFGs, together with experimental values of B, allow us to extract a new value of the nuclear electric quadrupole moment Q(^{109}Cd) = 0.634(22) b which is about 5% larger than the recommended value (Stone 2016 At. Data Nucl. Data Tables 111112 1; Pyykkö 2018 Mol. Phys. 116 1328). Efforts were made to provide a realistic theoretical uncertainty for the final Q value based on statistical principles and correlation with the magnetic dipole hyperfine interaction constant A.
 Publication:

Journal of Physics B Atomic Molecular Physics
 Pub Date:
 October 2022
 DOI:
 10.1088/13616455/ac8f00
 arXiv:
 arXiv:2201.03754
 Bibcode:
 2022JPhB...55t5002L
 Keywords:

 hyperfine structure;
 nuclear quadrupole moment;
 multiconfiguration DiracHartreeFock theory;
 cadmium;
 Physics  Atomic Physics;
 Physics  Computational Physics
 EPrint:
 15 pages,2 figures. arXiv admin note: text overlap with arXiv:1906.08465