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Symmetry breaking of relativistic multiconfiguration methods in the nonrelativistic limit

  • CNRS
  • CY Cergy Paris Université

Résultats de recherche: Contribution à un journalArticleRevue par des pairs

Résumé

The multiconfiguration Dirac-Fock method allows one to calculate the state of relativistic electrons in atoms or molecules. This method has been known for a long time to provide certain wrong predictions in the nonrelativistic limit. We study in full mathematical detail the nonlinear model obtained in the nonrelativistic limit for Be-like atoms. We show that the method with sp + pd configurations in the J = 1 sector leads to a symmetry breaking phenomenon in the sense that the ground state is never an eigenvector of L2 or S2. We thereby complement and clarify some previous studies.

langue originaleAnglais
Pages (de - à)767-791
Nombre de pages25
journalNonlinearity
Volume23
Numéro de publication4
Les DOIs
étatPublié - 26 mars 2010
Modification externeOui

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