In this paper we report on large-scale multiconfiguration Hartree-Fock and multiconfiguration Dirac-Fock calculations of the fine structures of the Cm4+ and Am3+ ions, both having nominal 5f6 electronic configuration.
Correlation effects play an extremely important role for both considered ions, and the single-configuration model is proved to be unfit to account for this complex picture. A comparison of the calculated energy levels with the results of spectroscopic measurements shows that theory and experiment are in quantitatively good agreement; the ground state of both ions is predicted to have nonmagnetic character. The accuracy of the results is estimated and discussed.
GAIGALAS G.;
GAIDAMAUSKAS E.;
RUDZIKAS Z.;
MAGNANI Nicola;
CACIUFFO Roberto;
2009-02-25
AMER PHYSICAL SOC
JRC50625
1050-2947,
http://dx.doi.org/10.1103/PhysRevA.79.022511,
https://publications.jrc.ec.europa.eu/repository/handle/JRC50625,
10.1103/PhysRevA.79.022511,
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