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Fast multi-orbital equation of motion impurity solver for dynamical mean field theory

2011; IOP Publishing; Volume: 23; Issue: 42 Linguagem: Inglês

10.1088/0953-8984/23/42/425601

1361-648X

Qingguo Feng, Peter M. Oppeneer,

Advanced Condensed Matter Physics

We propose a fast multi-orbital impurity solver for dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOMs) for local Green's functions and is constructed by generalizing from the single-orbital case to the multi-orbital case with the inclusion of the inter-orbital hybridizations and applying a mean field approximation to the inter-orbital Coulomb interactions. The two-orbital Hubbard model is studied using this impurity solver within a large range of parameters. The Mott metal–insulator transition and the quasiparticle peak are well described. A comparison of the EOM method with the quantum Monte Carlo method is made for the two-orbital Hubbard model and good agreement is obtained. The developed method hence holds promise as a fast DMFT impurity solver in studies of strongly correlated systems.