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 language | English |
|---|---|
| Pages (from-to) | 767-791 |
| Number of pages | 25 |
| Journal | Nonlinearity |
| Volume | 23 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 26 Mar 2010 |
| Externally published | Yes |
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