Matrix product states for real materials

Ulrich Schollwöck
University of Munich

In this talk, I will present recent advances on how to combine MPS-based and similar algorithms to provide impurity solvers for dynamical mean-field theory (DMFT) in combination with density functional theory. Several physical applications, in particular to strongly correlated materials with Hund’s coupling and spin-orbit coupling (transition metal and rare earth oxides) will be presented, showing how this method can solve physical questions that are not easily accessible to competing methods.

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