Symmetry Breaking of Relativistic Multiconfiguration Methods in the Nonrelativistic Limit

Details Symmetry Breaking of Relativistic Multiconfiguration Methods in the Nonrelativistic Limit Symmetry Breaking of Relativistic Multiconfiguration Methods in the Nonrelativistic Limit

2009-10-20

arxiv.org/abs/0910.3932v2

Physics

Mathematical Physics

Final version, to appear in Nonlinearity. Nonlinearity (2010) in press

Scientific paper

The multiconfiguration Dirac-Fock method allows 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 details 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 L^2 or S^2. We thereby complement and clarify some previous studies.

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