Ab initio calculations of the hyperfine structure of zinc and evaluation of the nuclear quadrupole moment Q ( Zn 67 )

The relativistic multiconfiguration Dirac-Hartree-Fock and the nonrelativistic multiconfiguration Hartree-Fock 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 P-3(1)degrees...

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Bibliographic Details
Published in:Physical review. A 2018-06, Vol.97 (6), Article 062505
Main Authors: Bieroń, Jacek, Filippin, Livio, Gaigalas, Gediminas, Godefroid, Michel, Jönsson, Per, Pyykkö, Pekka
Format: Article
Language:English
Subjects:
Atomic
Molecular & Chemical
Optics
Physics
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Summary:The relativistic multiconfiguration Dirac-Hartree-Fock and the nonrelativistic multiconfiguration Hartree-Fock 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 P-3(1)degrees and 4s4p P-3(2)degrees states, together with experimental values of the electric quadrupole hyperfine structure constants, made it possible to extract a nuclear electric quadrupole moment Q((67) Zn) = 0.122(10) b. The error bar was evaluated in a quasistatistical approach-the calculations were carried out with 11 different methods, and then the error bar was estimated from the differences between the results obtained with those methods.
ISSN:2469-9926
2469-9934
2469-9934
DOI:10.1103/PhysRevA.97.062505