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Bibliographic Details
Main Author: Gontier, David
Format: Preprint
Published: 2013
Subjects:
Online Access:https://arxiv.org/abs/1307.0139
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Table of Contents:
  • The $N$-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 $N$-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 $ρ^{αβ} (\br)$ of the spin-polarized density.