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• W2000895462 abstract "We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field theory (DMFT). We benchmark the solver in the two band Hubbard model within DMFT against quantum Monte Carlo (QMC) and numerical renormalization group (NRG) results. We find that the solver works very well in the paramagnetic Mott insulator phase. We also apply this impurity solver to the DMFT study of the anti-ferromagnetic phase transition in the unfrustrated Bethe lattice. The Neel temperature obtained by the fast impurity solver agrees very well with the QMC results in the large Hubbard U limit. The method is a promising tool to be used in combination with the LDA+DMFT to study Mott insulators starting from first principles." @default.
• W2000895462 created "2016-06-24" @default.
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• W2000895462 date "2005-07-08" @default.
• W2000895462 modified "2023-10-16" @default.
• W2000895462 title "Strong-coupling solver for the quantum impurity model" @default.
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• W2000895462 doi "https://doi.org/10.1103/physrevb.72.045111" @default.
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