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Core correlation effects in multiconfiguration calculations of isotope shifts in Mg I
Chimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium.
Chimie Quantique et Photophysique, Université Libre de Bruxelles, Brussels, B-1050, Belgium.
Malmö högskola, Faculty of Technology and Society (TS).
Malmö högskola, Faculty of Technology and Society (TS).ORCID iD: 0000-0001-6818-9637
2016 (English)In: Physical Review A: covering atomic, molecular, and optical physics and quantum information, ISSN 2469-9926, E-ISSN 2469-9934, Vol. 93, no 6, article id 062512Article in journal (Refereed)
Abstract [en]

The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of isotope shifts for several well-known transitions in neutral magnesium. Relativistic normal and specific mass shift factors as well as the electronic probability density at the origin are calculated. Combining these electronic quantities with available nuclear data, energy and transition level shifts are determined for the Mg26−Mg24 pair of isotopes. Different models for electron correlation are adopted. It is shown that, although valence and core-valence models provide accurate values for the isotope shifts, the inclusion of core-core excitations in the computational strategy significantly improves the accuracy of the transition energies and normal mass shift factors.

Place, publisher, year, edition, pages
American Physical Society, 2016. Vol. 93, no 6, article id 062512
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Natural Sciences
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URN: urn:nbn:se:mau:diva-2416DOI: 10.1103/PhysRevA.93.062512ISI: 000378804000003Scopus ID: 2-s2.0-84977266954Local ID: 21551OAI: oai:DiVA.org:mau-2416DiVA, id: diva2:1399169
Available from: 2020-02-27 Created: 2020-02-27 Last updated: 2024-06-17Bibliographically approved

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Ekman, JörgenJönsson, Per

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