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Symmetry breaking of relativistic multiconfiguration methods in the nonrelativistic limit

  • Centre national de la recherche scientifique
  • CY Cergy Paris Université

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)767-791
Number of pages25
JournalNonlinearity
Volume23
Issue number4
DOIs
Publication statusPublished - 26 Mar 2010
Externally publishedYes

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