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 TMF, 2002, Volume 130, Number 2, Pages 320–338 (Mi tmf305)

Wannier Representation for the Three-Band Hubbard Model

D. F. Digora, V. A. Moskalenkob

a Institute of Applied Physics Academy of Sciences of Moldova
b Joint Institute for Nuclear Research

Abstract: We obtain the cell representation for the Hamiltonian of the $(d-p)$ model. We use the Wannier orbitals for the holes belonging to the copper and oxygen ions; the orbitals are orthogonalized on the sites of the copper lattice. The first stage of calculating is diagonalizing the kinetic energy of the oxygen holes and, on this basis, introducing two diagonalizing orbitals for the oxygen fermions. These last two modes have significantly different local energies, which noticeably affect the results in the theory. The obtained Hamiltonian is represented as the sum of a main local term and a perturbation defining the delocalization of the Wannier fermions. We find the low-lying states and the corresponding energy spectrum for the local Hamiltonian. We show that introducing the diagonalizing fermions causes a significant lowering of the energy of the Zhang–Rice singlet.

DOI: https://doi.org/10.4213/tmf305

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English version:
Theoretical and Mathematical Physics, 2002, 130:2, 271–286

Bibliographic databases:

Citation: D. F. Digor, V. A. Moskalenko, “Wannier Representation for the Three-Band Hubbard Model”, TMF, 130:2 (2002), 320–338; Theoret. and Math. Phys., 130:2 (2002), 271–286

Citation in format AMSBIB
\Bibitem{DigMos02} \by D.~F.~Digor, V.~A.~Moskalenko \paper Wannier Representation for the Three-Band Hubbard Model \jour TMF \yr 2002 \vol 130 \issue 2 \pages 320--338 \mathnet{http://mi.mathnet.ru/tmf305} \crossref{https://doi.org/10.4213/tmf305} \zmath{https://zbmath.org/?q=an:1031.82512} \transl \jour Theoret. and Math. Phys. \yr 2002 \vol 130 \issue 2 \pages 271--286 \crossref{https://doi.org/10.1023/A:1014247601437} \isi{http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&DestLinkType=FullRecord&DestApp=ALL_WOS&KeyUT=000174582900008} 

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• https://doi.org/10.4213/tmf305
• http://mi.mathnet.ru/eng/tmf/v130/i2/p320

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This publication is cited in the following articles:
1. V. V. Valkov, D. M. Dzebisashvili, A. F. Barabanov, “Generalized Kondo lattice model and its spin-polaron realization by the projection method for cuprates”, Theoret. and Math. Phys., 191:2 (2017), 752–763
2. Val'kov V.V., Mitskan V.A., Dzebisashvili D.M., Barabanov A.F., “Hierarchy of Low-Energy Models of the Electronic Structure of Cuprate Htscs: the Role of Long-Range Spin-Correlated Hops”, Low Temp. Phys., 44:2 (2018), 130–138
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