Conserved quantities of S U ( 2 ) -invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
2012; American Physical Society; Volume: 86; Issue: 15 Linguagem: Inglês
10.1103/physrevb.86.155158
ISSN1550-235X
AutoresN. Parragh, A. Toschi, Karsten Held, Giorgio Sangiovanni,
Tópico(s)Rare-earth and actinide compounds
ResumoIn 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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