Pure-state $N$-representability in current-spin-density functional theory

David Gontier (1)

1 CERMICS - Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique

This paper is concerned with the pure-state N-representability problem for systems under a magnetic field. Necessary and sufficient conditions are given for a spin-density 2x2 matrix R to be representable by a Slater determinant. We also provide sufficient conditions on the paramagnetic current j for the pair (R, j) to be Slater-representable in the case where the number of electrons N is greater than 12. The case N < 12 is left open.

Domaines: Physique mathématique [math-ph]

David Gontier. Pure-state $N$-representability in current-spin-density functional theory. Communications in Mathematical Sciences, 2016, 14 (4), pp.987 - 1003. ⟨10.4310/CMS.2016.v14.n4.a6⟩. ⟨hal-01238622⟩