English

$N$-representability in non-collinear spin-polarized density functional theory

Mathematical Physics 2025-05-20 v2 math.MP Quantum Physics

Abstract

The NN-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 NN-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 ραβ(\br)\rho^{\alpha \beta} (\br) of the spin-polarized density.

Keywords

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}
}
R2 v1 2026-06-22T00:43:00.715Z