Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations

Abstract

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 to massively speed up the calculation of the fermionic trace in hybridization-expansion continuous-time quantum Monte Carlo algorithms. As an application, we show that, 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.

4 pages, 2 figs

References in corpus (6)

• Continuous-time Monte Carlo methods for quantum impurity models
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• Dynamical vertex approximation - a step beyond dynamical mean field theory
• Hund's coupling key role in multi-orbital correlations

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