Core Effects on Transition Energies for 3dk Conﬁgurations in Tungsten Ions
department or school: Science, Faculty of
department or school: Non UBC
department or school: Computer Science, Department of
data provider: DSpace
identifier citation: Atoms 5 (1): 7 (2017)
creator: Fischer, Charlotte Froese
creator: Gaigalas, Gediminas
creator: Jönsson, Per
issued: 2019-06-03T14:57:55Z
issued: 2017-02-08
description: All energy levels of the 3dᵏ,k=1,2,...,8,9,conﬁgurations for tungsten ions,computed using 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.
aggregated CHO: https://circle.library.ubc.ca/rest/handle/2429/70462
note: atomsArticleCore Effects on Transition Energies for 3dkConfigurations in Tungsten IonsCharlotte Froese Fischer 1,*,†, Gediminas Gaigalas 2,† and Per Jönsson 3,†1 Department of Computer Science, University of British Columbia, Vancouver V6T 1Z4, BC, Canada2 Vilnius University, Institute of Theoretical Physics and Astronomy, Saule˙tekio av. 3,LT-10222 Vilnius, Lithuania; gediminas.gaigalas@tfai.vu.lt3 Materials Science and Applied Mathematics, Malmö University, SE-205 06 Malmö, Sweden;per.jonsson@mah.se* Correspondence: cff@cs.ubc.ca† These authors contributed equally to this work.Academic Editor: Joseph ReaderReceived: 20 December 2016; Accepted: 26 January 2017; Published: 8 February 2017Abstract: All energy levels of the 3dk, k = 1,2,. . . , 8, 9, configurations for tungsten ions, computed usingthe GRASP2K fully relativistic code based on the variational multiconfiguration Dirac–Hartree–Fockmethod, are reported. Included in the calculations are valence correlation where all 3s, 3p, 3dorbitals are considered to be valence orbitals, as well as core–valence and core–core effects fromthe 2s, 2p subshells. Results are compared with other recent theory and with levels obtained fromthe wavelengths of lines observed in the experimental spectra. It is shown that the core correlationeffects 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 notbe determined from experimental wavelengths. For low values of k, levels were in good agreementwith relativistic many-body perturbation levels, but for 2 < k < 8, the present results were in betteragreement with observation.Keywords: core correlation effects; energy levels; multiconfiguration Dirac-Hartree-Fock; tungsten ions1. IntroductionBecause of their importance for the ITER project [1], spectra of tungsten ions have recently receivedmuch attention over a wide range of wavelengths. Of special interest…
has type: Article
is shown at: 10.14288/1.0379248
language: eng
peer review status: Reviewed
provider: Vancouver : University of British Columbia Library
publisher: Multidisciplinary Digital Publishing Institute
publisher DOI: 10.3390/atoms5010007
rights: CC BY 4.0
rights URI: https://creativecommons.org/licenses/by/4.0/
scholar level: Faculty
subject: Corecorrelationeffects
subject: Energylevels
subject: MulticonfigurationDirac-Hartree-Fock
subject: Tungstenions
type: Text
identifier URI: http://hdl.handle.net/2429/70462