Multiconfiguration calculations of electronic isotope-shift factors in Zn i

Livio Filippin, Jacek Bieroń, Gediminas Gaigalas, Michel Godefroid, and Per Jönsson

Phys. Rev. A 96, 042502 – Published 12 October 2017

Abstract

The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of electronic isotope-shift factors for a set of transitions between low-lying states in neutral zinc. These electronic quantities, together with observed isotope shifts between different pairs of isotopes, provide the changes in mean-square charge radii of the atomic nuclei. Within this computational approach, different models for electron correlation are explored in a systematic way to determine a reliable computational strategy and to estimate theoretical error bars of the isotope-shift factors.

Received 25 August 2017

DOI:https://doi.org/10.1103/PhysRevA.96.042502

Physics Subject Headings (PhySH)

Atomic & molecular structure Electron correlation calculations for atoms & ions Electronic structure of atoms & molecules Electronic transitions Fine & hyperfine structure Relativistic & quantum electrodynamic effects in atoms, molecules,& ions

Atomic, Molecular & Optical

Authors & Affiliations

Livio Filippin^1,*, Jacek Bieroń^2,†, Gediminas Gaigalas^3,‡, Michel Godefroid^1,§, and Per Jönsson^4,¶

¹Chimie Quantique et Photophysique, Université libre de Bruxelles, B-1050 Brussels, Belgium
²Instytut Fizyki imienia Mariana Smoluchowskiego, Uniwersytet Jagielloński, PL-30-348 Kraków, Poland
³Institute of Theoretical Physics and Astronomy, Vilnius University, LT-10222 Vilnius, Lithuania
⁴Group for Materials Science and Applied Mathematics, Malmö University, S-20506 Malmö, Sweden

^*Livio.Filippin@ulb.ac.be
^†jacek.bieron@uj.edu.pl
^‡Gediminas.Gaigalas@tfai.vu.lt
^§mrgodef@ulb.ac.be
^¶per.jonsson@mah.se

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Issue

Vol. 96, Iss. 4 — October 2017

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