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Monday, 23. April 2018 09:02 Age: 4 yrs

Fork Tensor-Product States: Efficient Multiorbital Real-Time DMFT Solver

Category: Scientific Highlights

Published in Physical Review X

We present a tensor network especially suited for multi-orbital Anderson impurity models and as an impurity solver for multi-orbital dynamical mean-field theory (DMFT). The solver works directly on the real-frequency axis and yields high spectral resolution at all frequencies. We use a large number (O(100)) of bath sites and therefore achieve an accurate representation of the bath. The solver can treat full rotationally invariant interactions with reasonable numerical effort. We show the efficiency and accuracy of the method by a benchmark for the three-orbital test-bed material SrVO3. There we observe multiplet structures in the high-energy spectrum, which are almost impossible to resolve by other multi-orbital methods. The resulting structure of the Hubbard bands can be described as a broadened atomic spectrum with rescaled interaction parameters. Additional features emerge when U is increased. Finally, we show that our solver can be applied even to models with five orbitals. This impurity solver offers a new route to the calculation of precise real-frequency spectral functions of correlated materials.

Project parts: P15 Collective Phenomena in Oxide Films and Hetero-structures & P04 Quantum Impurity Solvers

Original publication: Daniel Bauernfeind, Manuel Zingl, Robert Triebl, Markus Aichhorn, and Hans Gerd Evertz

DOI:10.1103/PhysRevX.7.031013 (2017)




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