N-representability in non-collinear spin-polarized density functional theory
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Publication:6243000
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.
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