Regensburg 2013 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 51: Correlated Electrons: General Theory 1

TT 51.11: Vortrag

Donnerstag, 14. März 2013, 12:15–12:30, H6

Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations — Nicolaus Parragh¹, Alessandro Toschi², Karsten Held², and •Giorgio Sangiovanni¹ — ¹Institut für Theoretische Physik und Astrophysik, Universität Würzburg, Am Hubland, 97074 Würzburg, Deutschland — ²Institut für Festkörperphysik, Technische Universität Wien, Vienna, Österreich

In the context of realistic calculations for strongly correlated materials with d or f electrons the efficient computation of multi-orbital models is of paramount importance. Here we introduce a set of invariants for the SU(2)-symmetric Kanamori Hamiltonian, which allows us to massively speed up the calculation of the fermionic trace in hybridization-expansion continuous-time quantum Monte Carlo algorithms. We show that by exploiting this set of good quantum numbers the study of the orbital-selective Mott transition in systems with up to seven correlated orbitals becomes feasible.
[1] N. Parragh, A. Toschi, K. Held, and G. Sangiovanni, Phys. Rev. B 86, 155158 (2012)