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

Bieron, JacekInstytut Fizyki Imienia Mariana Smoluchowskiego, Uniwersytet Jagielloński, ul. prof. Stanisława Łojasiewicza 11, Kraków, Poland (author)

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.

Filippin, LivioChimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium (author)
Gaigalas, GediminasVilnius University, Institute of Theoretical Physics and Astronomy, Sauletekio Av. 3, Vilnius, LT-10222, Lithuania (author)
Godefroid, MichelChimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium (author)
Jönsson, PerMalmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:mau)tspejo (author)
Pyykkö, PekkaDepartment of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen Aukio 1), Helsinki, FIN-00014, Finland (author)
Instytut Fizyki Imienia Mariana Smoluchowskiego, Uniwersytet Jagielloński, ul. prof. Stanisława Łojasiewicza 11, Kraków, PolandChimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium (creator_code:org_t)

In:Physical Review A: covering atomic, molecular, and optical physics and quantum information: American Physical Society97:62469-99262469-9934

By the author/editor: Bieron, Jacek; Filippin, Livio; Gaigalas, Gedimi ...; Godefroid, Miche ...; Jönsson, Per; Pyykkö, Pekka

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