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 originale | Anglais |
|---|---|
| Pages (de - à) | 767-791 |
| Nombre de pages | 25 |
| journal | Nonlinearity |
| Volume | 23 |
| Numéro de publication | 4 |
| Les DOIs | |
| état | Publié - 26 mars 2010 |
| Modification externe | Oui |
Empreinte digitale
Examiner les sujets de recherche de « Symmetry breaking of relativistic multiconfiguration methods in the nonrelativistic limit ». Ensemble, ils forment une empreinte digitale unique.Contient cette citation
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver