Berlin 2018 – wissenschaftliches Programm

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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: Hauptvortrag

Mittwoch, 14. März 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.