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Fast multi-orbital equation of motion impurity solver for dynamical mean field theory
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2011 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 23, no 42, 425601- p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2011. Vol. 23, no 42, 425601- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-161931DOI: 10.1088/0953-8984/23/42/425601ISI: 000296157900011OAI: oai:DiVA.org:uu-161931DiVA: diva2:458516
Available from: 2011-11-23 Created: 2011-11-21 Last updated: 2017-12-08Bibliographically approved

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Feng, QingguoOppeneer, Peter M.

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