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Large-scale calculations of atomic level and transition properties in the aluminum isoelectronic sequence from Ti X through Kr XXIV, Xe XLII, and W LXII
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).ORCID iD: 0000-0001-6818-9637
Institute of Theoretical Physics and Astronomy, Vilnius University, Saulėtekio av. 3, Vilnius, LT-10222, Lithuania.
Institute of Theoretical Physics and Astronomy, Vilnius University, Saulėtekio av. 3, Vilnius, LT-10222, Lithuania.
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2018 (English)In: Atomic Data and Nuclear Data Tables, ISSN 0092-640X, E-ISSN 1090-2090, Vol. 120, p. 152-262Article in journal (Refereed) Published
Abstract [en]

Large-scale self-consistent multiconfiguration Dirac-Hartree-Fock subsequent relativistic configuration interaction (RCl) calculations are reported for 360 states belonging to the 30 configurations 3s(2))3l, 4l. 5l}, 3p(2) (3d, 4l}, 3s(3p(2). 3d(2)),3s{3p3d, 3p4l. 3p5s, 3d4l'}, 3p3d(2), 3p(3) and 3d(3) with I = 0, 1,, n - 1 and l' = 0. 1. 2 in 17 systems of the aluminum-like isoelectronic sequence: Ti X through Kr XXIV, Xe XLII, and W LXII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions (CSF) and calculated energy levels are compared with existing theoretical calculations and the NIST Atomic Spectra database. Radiative E1, E2, M1 and M2 transition rates and associated lifetimes of energy levels are presented in online tables. The uncertainties of the calculated energies are very small, on average between 0.02% and 0.05%, which aid new line identifications in laboratory and astronomical spectra and also make it possible to find and rule out misidentifications. The uncertainties of the El transition probabilities, based on the agreement between values in the length and velocity gauges, are estimated to be of the order 0.5% for the strong transitions and 25% for the weaker intercombination transitions. The M1 transition values are not sensitive to electron correlation and are believed to be accurate to well within 1%. (C) 2017 Published by Elsevier Inc.

Place, publisher, year, edition, pages
Elsevier, 2018. Vol. 120, p. 152-262
Keywords [en]
Atomic structure calculations, Grasp2K, Aluminium-like, Isoelectronic sequence
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Natural Sciences
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URN: urn:nbn:se:mau:diva-16022DOI: 10.1016/j.adt.2017.04.005ISI: 000439539400003Scopus ID: 2-s2.0-85020230872Local ID: 26687OAI: oai:DiVA.org:mau-16022DiVA, id: diva2:1419544
Available from: 2020-03-30 Created: 2020-03-30 Last updated: 2024-06-17Bibliographically approved

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Ekman, JörgenJönsson, Per

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