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

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Bieron , J , Filippin , L , Gaigalas , G , Godefroid , M , Jönsson , P & Pyykkö , P 2018 , ' Ab initio calculations of the hyperfine structure of zinc and evaluation of the nuclear quadrupole moment Q(Zn-67) ' , Physical Review A , vol. 97 , no. 6 , 062505 . https://doi.org/10.1103/PhysRevA.97.062505

Title: Ab initio calculations of the hyperfine structure of zinc and evaluation of the nuclear quadrupole moment Q(Zn-67)
Author: Bieron, Jacek; Filippin, Livio; Gaigalas, Gediminas; Godefroid, Michel; Jönsson, Per; Pyykkö, Pekka
Other contributor: University of Helsinki, Department of Chemistry
Date: 2018-06-14
Language: eng
Number of pages: 12
Belongs to series: Physical Review A
ISSN: 2469-9926
DOI: https://doi.org/10.1103/PhysRevA.97.062505
URI: http://hdl.handle.net/10138/237838
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 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.
Subject: ATOMIC-STRUCTURE PACKAGE
COUPLING-CONSTANTS
EXCITED-STATES
ENERGY-LEVELS
TRANSFORMATION
TRANSITION
NITROGEN
PROGRAM
FOCK
CD
114 Physical sciences
116 Chemical sciences
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