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Ab initio calculati...
Ab initio calculations of the hyperfine structure of zinc and evaluation of the nuclear quadrupole moment Q(Zn-67)
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- Bieron, Jacek (författare)
- Instytut Fizyki Imienia Mariana Smoluchowskiego, Uniwersytet Jagielloński, ul. prof. Stanisława Łojasiewicza 11, Kraków, Poland
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- Filippin, Livio (författare)
- Chimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium
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- Gaigalas, Gediminas (författare)
- Vilnius University, Institute of Theoretical Physics and Astronomy, Sauletekio Av. 3, Vilnius, LT-10222, Lithuania
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- Godefroid, Michel (författare)
- Chimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium
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- Jönsson, Per (författare)
- Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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- Pyykkö, Pekka (författare)
- Department of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen Aukio 1), Helsinki, FIN-00014, Finland
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Instytut Fizyki Imienia Mariana Smoluchowskiego, Uniwersytet Jagielloński, ul prof. Stanisława Łojasiewicza 11, Kraków, Poland Chimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium (creator_code:org_t)
- American Physical Society, 2018
- 2018
- Engelska.
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Ingår i: Physical Review A: covering atomic, molecular, and optical physics and quantum information. - : American Physical Society. - 2469-9926 .- 2469-9934. ; 97:6
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Nyckelord
- Optics
- Physics
- Atomic
- Molecular & Chemical
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