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An advanced multi-orbital impurity solver for dynamical mean field theory based on the equation of motion approach
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.
2012 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 24, no 5, p. 055603-Article in journal (Refereed) Published
Abstract [en]

We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory based on equations of motion (EOM) for Green's functions and a decoupling scheme. In this scheme the inter-orbital Coulomb interactions are treated fully self-consistently, and involve the inter-orbital fluctuations. As an example of the use of the derived multi-orbital impurity solver, the two-orbital Hubbard model is studied for various cases. Comparisons are made between numerical results obtained with our EOM scheme and those obtained with quantum Monte Carlo and numerical renormalization group methods. The comparison shows a good agreement, but also reveals a dissimilarity of the behaviors of the densities of states which is caused by inter-site inter-orbital hopping effects and on-site inter-orbital fluctuation effects, thus corroborating the assertion of the value of the EOM method for the study of multi-orbital strongly correlated systems.

Place, publisher, year, edition, pages
2012. Vol. 24, no 5, p. 055603-
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-169087DOI: 10.1088/0953-8984/24/5/055603ISI: 000299326500020OAI: oai:DiVA.org:uu-169087DiVA: diva2:506075
Available from: 2012-02-27 Created: 2012-02-23 Last updated: 2017-12-07Bibliographically approved

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Feng, QingguoOppeneer, Peter M.

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