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Core Effects on Transition Energies for 3dk Configurations in Tungsten Ions

Department of Computer Science, University of British Columbia, Vancouver V6T 1Z4, BC, Canada
Vilnius University, Institute of Theoretical Physics and Astronomy, Saul˙etekio av. 3, LT-10222 Vilnius, Lithuania
Materials Science and Applied Mathematics, Malmö University, SE-205 06 Malmö, Sweden
Author to whom correspondence should be addressed.
Received: 20 December 2016 / Accepted: 26 January 2017 / Published: 8 February 2017
(This article belongs to the Special Issue Spectra of Ionized Atoms: From Laboratory to Space)
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Allenergylevelsofthe3dk,k=1,2,...,8,9,configurationsfortungstenions,computedusing the GRASP2K fully relativistic code based on the variational multiconfiguration Dirac–Hartree–Fock method, are reported. Included in the calculations are valence correlation where all 3s,3p,3d orbitals are considered to be valence orbitals, as well as core–valence and core–core effects from the 2s,2p subshells. Results are compared with other recent theory and with levels obtained from the wavelengths of lines observed in the experimental spectra. It is shown that the core correlation effects considerably reduce the disagreement with levels linked directly to observed wavelengths, but may differ significantly from the NIST levels, where an unknown shift of the levels could not be determined from experimental wavelengths. For low values of k, levels were in good agreement with relativistic many-body perturbation levels, but for 2 < k < 8, the present results were in better agreement with observation. View Full-Text
Keywords: corecorrelationeffects;energylevels;multiconfigurationDirac-Hartree-Fock;tungstenions corecorrelationeffects;energylevels;multiconfigurationDirac-Hartree-Fock;tungstenions

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Fischer, C.F.; Gaigalas, G.; Jönsson, P. Core Effects on Transition Energies for 3dk Configurations in Tungsten Ions. Atoms 2017, 5, 7.

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