Electronic structure of exemplary correlated materials

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The aim of this project is to better understand the physics of correlated systems by comparing experimental and theoretical results. We will carry out material-specific studies of a number of model compounds for strongly correlated systems, using both experimental and theoretical approaches. These results could serve as a test ground for the novel theoretical methods developed within our own project and other projects of the total research unit. Both successes and failures of particular versions of DMFT will lead to a better modelling of correlated systems. The specific goals of this project are: (1) Identification of the material-specific key parameters, (2) experimental verification of the DMFT results, and (3) the improvement of exact diagonalization cluster solvers as to include the full atomic multiplet theory and spin-orbit coupling.