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Article: Strong-coupling solver for the quantum impurity model
Title | Strong-coupling solver for the quantum impurity model |
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Authors | |
Keywords | Physics |
Issue Date | 2005 |
Publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Citation | Physical Review B (Condensed Matter and Materials Physics), 2005, v. 72 n. 4, article no. 045111 How to Cite? |
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 antiferromagnetic 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. |
Persistent Identifier | http://hdl.handle.net/10722/43164 |
ISSN | 2014 Impact Factor: 3.736 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Dai, X | en_HK |
dc.contributor.author | Haule, K | en_HK |
dc.contributor.author | Kotliar, G | en_HK |
dc.date.accessioned | 2007-03-23T04:40:28Z | - |
dc.date.available | 2007-03-23T04:40:28Z | - |
dc.date.issued | 2005 | en_HK |
dc.identifier.citation | Physical Review B (Condensed Matter and Materials Physics), 2005, v. 72 n. 4, article no. 045111 | - |
dc.identifier.issn | 1098-0121 | en_HK |
dc.identifier.uri | http://hdl.handle.net/10722/43164 | - |
dc.description.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 antiferromagnetic 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. | en_HK |
dc.format.extent | 211044 bytes | - |
dc.format.extent | 25088 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.format.mimetype | application/msword | - |
dc.language | eng | en_HK |
dc.publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ | en_HK |
dc.relation.ispartof | Physical Review B (Condensed Matter and Materials Physics) | - |
dc.rights | Copyright 2005 by The American Physical Society. This article is available online at https://doi.org/10.1103/PhysRevB.72.045111 | - |
dc.subject | Physics | en_HK |
dc.title | Strong-coupling solver for the quantum impurity model | en_HK |
dc.type | Article | en_HK |
dc.identifier.openurl | http://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1098-0121&volume=72&issue=4&spage=045111:1&epage=6&date=2005&atitle=Strong-coupling+solver+for+the+quantum+impurity+model | en_HK |
dc.description.nature | published_or_final_version | en_HK |
dc.identifier.doi | 10.1103/PhysRevB.72.045111 | en_HK |
dc.identifier.scopus | eid_2-s2.0-33749233468 | - |
dc.identifier.hkuros | 111970 | - |
dc.identifier.volume | 72 | - |
dc.identifier.issue | 4 | - |
dc.identifier.spage | article no. 045111 | - |
dc.identifier.epage | article no. 045111 | - |
dc.identifier.isi | WOS:000230890300027 | - |
dc.identifier.issnl | 1098-0121 | - |