Ab initio calculations of hyperfine structures of zinc and evaluation of the nuclear quadrupole moment $Q{(}^{67}\mathrm{Zn})$

Abstract

The relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) and the non-relativistic multiconfiguration Hartree-Fock (MCHF) methods have been employed to calculate the magnetic dipole and electric quadrupole hyperfine structure constants of zinc. The calculated electric field gradients for the $4s4p{}^3{P}_1^o$ and $4s4p{}^3{P}_2^o$ states, together with experimental values of the electric quadrupole hyperfine structure constants, made it possible to extract a nuclear electric quadrupole moment $Q{(}^{67}\mathrm{Zn})=0.122(10)$ b. The error bar has been evaluated in a quasi-statistical approach - the calculations had been carried out with eleven different methods, and then the error bar has been estimated from the differences between the results obtained with those methods.

14 pages, 1 figure