AB Initio Calculations of Crystal-Field for Actinide Dioxides
In this paper we report on large-scale multiconfiguration Dirac-Fock and relativistic configuration-interaction calculations in the framework of crystal-field theory of the actinide dioxides. In order to be able to perform such calculations the package of the relativistic atomic structure calculations GRASP2K has been extended. The correlation and relativistic effects were taken into account. Calculated crystal-field energy levels of actinide dioxides are compared with other theoretical and with experimental results based on inelastic neutron scattering measurements.
GAIGALAS G.;
GAIDAMAUSKAS E.;
RUDZIKAS Z.;
MAGNANI Nicola;
CACIUFFO Roberto;
2010-01-19
LITHUANIAN PHYSICAL SOC
JRC53501
1648-8504,
http://www.itpa.lt/~lfd/Lfz/494/05/Ljp49405.pdf,
https://publications.jrc.ec.europa.eu/repository/handle/JRC53501,
10.3952/lithjphys.49405,
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