4.6 Article

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

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PHYSICAL REVIEW B
卷 86, 期 15, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.86.155158

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  1. Research Unit FOR 1346 of the DFG (FWF Project) [I597-N16]

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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.

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