Lower semi-continuity of universal functional in paramagnetic current-density functional theory
Chemical Physics
2020-11-11 v1
Abstract
A cornerstone of current-density functional theory (CDFT) in its paramagnetic formulation is proven. After a brief outline of the mathematical structure of CDFT, the lower semi-continuity and expectation valuedness of the CDFT constrained-search functional is proven, meaning that there is always a minimizing density matrix in the CDFT constrained-search universal density functional. These results place the mathematical framework of CDFT on the same footing as that of standard DFT.
Keywords
Cite
@article{arxiv.2011.05129,
title = {Lower semi-continuity of universal functional in paramagnetic current-density functional theory},
author = {Simen Kvaal and Andre Laestadius and Erik I. Tellgren and Trygve U. Helgaker},
journal= {arXiv preprint arXiv:2011.05129},
year = {2020}
}