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Young Seminar
Organizers: Douglas Lundholm (IHP/IHES) & Julien Sabin (Cergy)


David Gontier (ENPC): "Representability in non-collinear spin-polarized density functional theory"
Wednesday 10 July 2013, 15:30 - 16:30
Amphithéâtre Darboux


Abstract: The idea of DFT is to transform a minimization problem for the wave function into a new one for the electronic density. The new set of minimization is called the representable set. In the spin-unpolarized setting, it is a classical result that every electronic density satisfying some mild conditions is representable by a finite energy determinantal wave function. We extend this result to the spin-unpolarized case, where the electronic density is a Hermitian matrix. A rigorous formulation of the spin density functional theory (SDFT) can then be obtained.