$N$-representability in non-collinear spin-polarized density functional theory
Mathematical Physics
2025-05-20 v2 math.MP
Quantum Physics
Abstract
The -representability problem for non-collinear spin-polarized densities was left open in the pioneering work of von Barth and Hedin setting up the Kohn-Sham density functional theory for magnetic compounds. In this letter, we demonstrate that, contrarily to the non-polarized case, the sets of pure and mixed state -representable densities are different in general. We provide a simple characterization of the latter by means of easily checkable necessary and sufficient conditions on the components of the spin-polarized density.
Cite
@article{arxiv.1307.0139,
title = {$N$-representability in non-collinear spin-polarized density functional theory},
author = {David Gontier},
journal= {arXiv preprint arXiv:1307.0139},
year = {2025}
}