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MM: Fachverband Metall- und Materialphysik
MM 42: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials V (joint session O/MM/DS/TT/CPP)
MM 42.1: Invited Talk
Wednesday, March 14, 2018, 15:00–15:30, HL 001
Computational Approach to the Electronic Structure of Strongly Correlated Materials: Towards Theoretical Spectroscopy and Theory Assisted Material Design — •Gabriel Kotliar — Serin Physics Laboratory Rutgers University — Brookhaven National Laboratories
We will introduce a project, to build algorithms and a suite of open source codes, to compute the electronic structure of correlated materials. It involves different methods, to provide different compromises between speed and accuracy, and to treat different types of correlation (static and dynamic). The suite includes methods ranging from vertex corrected GW, rotationally invariant slave bosons and LDA+DMFT, and we will illustrate some of these methods ( and their failures) in d and f electron systems.