Symmetry Breaking of Relativistic Multiconfiguration Methods in the Nonrelativistic Limit
Mathematical Physics
2015-05-14 v2 Analysis of PDEs
math.MP
Abstract
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.
Keywords
Cite
@article{arxiv.0910.3932,
title = {Symmetry Breaking of Relativistic Multiconfiguration Methods in the Nonrelativistic Limit},
author = {Maria J. Esteban and Mathieu Lewin and Andreas Savin},
journal= {arXiv preprint arXiv:0910.3932},
year = {2015}
}
Comments
Final version, to appear in Nonlinearity. Nonlinearity (2010) in press