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physica status solidi (b)

Study of Electron‐Electron Correlations in Metals by Numerical Methods

Yu. A. Babanw, V. E. Naǐsh, O. B. Sokolov, V. K. Finashkin

Published Apr 1, 1973• 11 citations
Publisher
DOI
10.1002/pssb.2220560251

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Progress of Theoretical Physics•Sep 1, 1976•7 citations
The Hubbard model with additional intersite interaction `VVV' (the extended Hubbard model) is investigated by the correlator projection method (CPM). CPM is a newly developed numerical method which combines the equation-of-motion approach and the dynamical mean-field theory. Using this method, properties of the extended Hubbard Model at quarter filling are discussed with special emphasis on the metal-insulator transition induced by electron-electron correlations. The result shows a metal-insulator transition to a charge ordered insulator with antiferromagnetic order at low temperatures, but a charge ordered insulator without magnetic symmetry breaking at intermediate temperatures. Here, the magnetic order is found to be suppressed to low temperatures because of the smallness of the exchange coupling JeffJ_{\rm eff}Jeff​. The present results are in sharp contrast with the Hatree-Fock approximation whereas in agreement with the experimental results on quarter-filled materials with strong correlations, such as organic conductors.
Electronic Correlation in Molecules - Some Fundamental Problems Improving the Panoply of Quantum Chemical Methods for the Study of Correlated Extended Systems Lie-Algebraic Structure and the Coupled Cluster Method Configuration Interaction Studies Using Biorthogonal Approach to VB Basis Optimised Virtual Orbitals for the Calculation of Molecular Properties of Excited Electronic States A Novel MO-VB Scheme for Excitation Gaps in Correlated Mode Hamiltonians Correlated Approach to Molecular Properties Infinite Volume Extrapolations of Finite Clusters Calculations - How Correct are These? Calculation of the Hyperpolarisabilities of Organic Molecules and their Role in the Interpretation of Nonlinear Optical Phenomena in Organic Crystals Energy Thresholds in Polysilanes - Elementary Excitations of Alternating Conjugated Chains Inter- and Intramolecular Spin Coupling in Organics Electron Correlation Effects in Semiconductorquantum Dot Nanostructures Numerical Simulations of Strongly-Correlated Systems-Interlayer Tunnelling Mechanism, Spin-Charge Separation and Odd-Gap Pairing Metal Insulator Transition in 3rd Transition Metal Oxides Superconductivity in Doped Fullerenes.