Electronic Structure of Strongly Correlated Systems Emerging from Combining Path-Integral Renormalization Group with Density Functional Approach

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dc.creatorImai, Yoshiki
dc.creatorSolovyev, Igor V.
dc.creatorImada, Masatoshi
dc.date2005-03-11
dc.date.accessioned2026-07-07T06:21:54Z
dc.date.available2026-07-07T06:21:54Z
dc.descriptionA new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is constructed by a downfolding procedure using combinations of the constrained LDA and the GW method. Thus obtained low-energy Hamiltonian is solved by the path-integral renormalization-group method, where spatial and dynamical fluctuations are fully considered. An application to Sr$_2$VO$_4$ shows that the scheme is powerful in agreement with experimental results. It further predicts a nontrivial orbital-stripe order.
dc.description5 pages including 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0503270
dc.identifierhttp://arxiv.org/abs/cond-mat/0503270
dc.identifierPhys. Rev. Lett. 95, 176405 (2005)
dc.identifierdoi:10.1103/PhysRevLett.95.176405
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/95748
dc.subjectMaterials Science
dc.subjectStrongly Correlated Electrons
dc.titleElectronic Structure of Strongly Correlated Systems Emerging from Combining Path-Integral Renormalization Group with Density Functional Approach
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