Ab initio calculations of the hyperfine structure of zinc and evaluation of the nuclear quadrupole moment Q(Zn67)

Jacek Bieroń, Livio Filippin, Gediminas Gaigalas, Michel Godefroid, Per Jönsson, and Pekka Pyykkö
Phys. Rev. A 97, 062505 – Published 14 June 2018

Abstract

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 4s4pP1o3 and 4s4pP2o3 states, together with experimental values of the electric quadrupole hyperfine structure constants, made it possible to extract a nuclear electric quadrupole moment Q(Zn67)=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.

  • Figure
  • Received 5 April 2018

DOI:https://doi.org/10.1103/PhysRevA.97.062505

©2018 American Physical Society

Physics Subject Headings (PhySH)

Atomic, Molecular & Optical

Authors & Affiliations

Jacek Bieroń1,*, Livio Filippin2, Gediminas Gaigalas3, Michel Godefroid2, Per Jönsson4, and Pekka Pyykkö5

  • 1Instytut Fizyki imienia Mariana Smoluchowskiego, Uniwersytet Jagielloński, ul. prof. Stanisława Łojasiewicza 11, Kraków, Poland
  • 2Chimie Quantique et Photophysique, Université libre de Bruxelles, B-1050 Brussels, Belgium
  • 3Vilnius University, Institute of Theoretical Physics and Astronomy, Saulėtekio Av. 3, Vilnius LT-10222, Lithuania
  • 4Department of Materials Science and Applied Mathematics, Malmö University, Malmö S-20506, Sweden
  • 5Department of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen Aukio 1), Helsinki FIN-00014, Finland

  • *jacek.bieron@uj.edu.pl

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 97, Iss. 6 — June 2018

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×