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The Effect of Correlation on Spectra of the Lanthanides: Pr3+

Department of Computer Science, University of British Columbia, 2366 Main Mall, Vancouver, BC V6T1Z4, Canada
Institute of Theoretical Physics and Astronomy, Vilnius Univeristy, Saulėtekio ave. 3, LT-10222 Vinius, Lithiuania
Author to whom correspondence should be addressed.
Received: 2 February 2018 / Revised: 21 February 2018 / Accepted: 21 February 2018 / Published: 25 February 2018
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The effect of correlation on the spectra of lanthanide ions has been investigated using variational methods based on multiconfiguration Dirac–Hartree–Fock (MCDHF) theory. Results from several computational models are reported for Pr3+. The first assumes an inactive Cd-like 4 d 10 core with valence electrons in 4 f 2 5 s 2 5 p 6 subshells. Additional models extend correlation to include core effects. It is shown that, with such models, the difference between computed energy levels and those from observed data increases with the energy of the level, suggesting that correlation among outer electrons should also be based on the correlated core of excited configuration state functions (CSFs). Some M1 transition probabilities are reported for the most accurate model and compared with predictions obtained from semi-empirical methods. View Full-Text
Keywords: correlation; energy levels; lanthanides correlation; energy levels; lanthanides
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Froese Fischer, C.; Gaigalas, G. The Effect of Correlation on Spectra of the Lanthanides: Pr3+. Atoms 2018, 6, 8.

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