Augmented hybrid exact-diagonalization solver for dynamical mean field theory

Abstract

We present a new methodology to solve the Anderson impurity model, in the context of dynamical mean-field theory, based on the exact diagonalization method. We propose a strategy to effectively refine the exact diagonalization solver by combining a finite-temperature Lanczos algorithm with an adapted version of the cluster perturbation theory. We show that the augmented diagonalization yields an improved accuracy in the description of the spectral function of the single-band Hubbard model and is a reliable approach for a full d-orbital manifold calculation.

References in corpus (23)

• The density-matrix renormalization group
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Continuous-time Monte Carlo methods for quantum impurity models
• A continuous-time solver for quantum impurity models
• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Orbital-assisted metal-insulator transition in VO${}_2$
• Hot Spots and Pseudogaps for Hole- and Electron-Doped High-Temperature Superconductors
• Strongly Correlated Superconductivity: a plaquette Dynamical mean field theory study
• Vanadium dioxide : A Peierls-Mott insulator stable against disorder
• Anomalous superconductivity and its competition with antiferromagnetism in doped Mott insulators
• Fermi-liquid, non-Fermi-liquid, and Mott phases in iron pnictides and cuprates
• Solving Dynamical Mean-Field Theory at very low temperature using Lanczos Exact Diagonalization
• Dynamical Mean Field Theory with the Density Matrix Renormalization Group
• Sum-rules and bath-parametrization for quantum cluster theories
• Temperature and bath size in exact diagonalization dynamical mean field theory
• Effective band-structure in the insulating phase versus strong dynamical correlations in metallic VO2
• Cluster Dynamical Mean-Field Theory of the density-driven Mott transition in the one-dimensional Hubbard model
• Analytical continuation of imaginary axis data for optical conductivity
• Antiferromagnetism and Superconductivity in layered organic conductors: Variational cluster approach
• Exact Diagonalization Dynamical Mean Field Theory for Multi-Band Materials: Effect of Coulomb correlations on the Fermi surface of Na_0.3CoO_2
• Materials Design using Correlated Oxides: Optical Properties of Vanadium Dioxide
• Variational cluster approach to the single impurity Anderson model
• Asymmetry between the electron- and hole-doped Mott transition in the periodic Anderson model

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