Decoupling method for dynamical mean field theory calculations

Abstract

In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite $U$ Hubbard model, the periodic Anderson model and the $pd$ model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using LDA+DMFT.

30 pages, 7 figures

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Cited by in corpus (13)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Nonequilibrium transport and optical properties of model metal--Mott-insulator--metal heterostructures
• Strong Coupling Solver for the Quantum Impurity Model
• A fast impurity solver based on equations of motion and decoupling
• Benchmarking a semiclassical impurity solver for dynamical-mean-field theory: self-energies and magnetic transitions of the single-orbital Hubbard model
• Equation of Motion Solutions to Hubbard Model retaining Kondo Effect
• A Fast Impurity Solver Based on Gutzwiller variational approach
• Asymmetry between the electron- and hole-doped Mott transition in the periodic Anderson model
• Mott transition in the asymmetric Hubbard model at half-filling within dynamical mean-field theory
• Advanced multi-orbital impurity solver for dynamical mean field theory based on the equation of motion approach
• Electron-phonon interaction for adiabatic anharmonic phonons
• A Standard Basis Operator Equation of Motion Impurity Solver for Dynamical Mean Field Theory
• Fast multi-orbital equation of motion impurity solver for dynamical mean field theory