Title: The Role of Atomic Correlations in the Theoretical Study of Minor Actinide Ions
Authors: GAIGALAS G.GAIDAMAUSKAS E.RUDZIKAS Z.MAGNANI NicolaCACIUFFO Roberto
Citation: JOURNAL OF NUCLEAR MATERIALS vol. 385 p. 66-67
Publisher: ELSEVIER SCIENCE BV
Publication Year: 2009
JRC Publication N°: JRC50730
ISSN: 0022-3115
URI: http://www.elsevier.com/locate/jnucmat
http://publications.jrc.ec.europa.eu/repository/handle/JRC50730
DOI: 10.1016/j.jnucmat.2008.08.060
Type: Contributions to Conferences
Abstract: This paper aims to demonstrate the recent possibilities to account for correlation and relativistic effects in studying the electronic structure and energy spectra of actinide ions. The fine structure of lowest term 7F of tetravalent curium (Cm4+) is considered as an example, as part of an ongoing project to understand the unexpected ground-state properties of this peculiar ion. The calculations were performed in multiconfiguration Hartree¿Fock (including relativistic effects in the Breit¿Pauli approach) and multiconfuguration Dirac¿Fock approximations. The results obtained demonstrate that, whilst core¿valence and core¿ core correlations are essential to assess correctly the Cm4+ term energy, their role in the determination of the fine structure is much less important compared to that of valence¿valence correlations.
JRC Institute:Institute for Transuranium Elements

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