Exact diagonalization solver for the extended dynamical mean-field theory

Abstract

We present an efficient exact diagonalization scheme for the extended dynamical mean-field theory and apply it to the extended Hubbard model on the square lattice with nonlocal charge-charge interactions. Our solver reproduces the phase diagram of this approximation with good accuracy. Details on the numerical treatment of the large Hilbert space of the auxiliary Holstein-Anderson impurity problem are provided. Benchmarks with a numerically exact strong-coupling continuous-time quantum-Monte Carlo solver show better convergence behavior of the exact diagonalization in the deep insulator. Special attention is given to possible effects due to the discretization of the bosonic bath. We discuss the quality of real axis spectra and address the question of screening in the Mott insulator within extended dynamical mean-field theory.

12 pages, 8 figures

References in corpus (47)

• Correlated Electrons in High Temperature Superconductors
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Continuous-time Monte Carlo methods for quantum impurity models
• The ALPS project release 2.0: Open source software for strongly correlated systems
• Cellular Dynamical Mean Field Approach to Strongly Correlated Systems
• Nonlocal Dynamical Correlations of Strongly Interacting Electron Systems
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Antiferromagnetism and d-wave superconductivity in cuprates: a uster DMFT study
• Self-energy-functional approach to systems of correlated electrons
• Variational cluster approach to correlated electron systems in low dimensions
• Superconductivity and the Pseudogap in the two-dimensional Hubbard model
• Numerical Renormalization Group Calculations for the Self-energy of the impurity Anderson model
• Optimal Hubbard models for materials with nonlocal Coulomb interactions: graphene, silicene and benzene
• Extended Dynamical Mean Field Theory and GW method
• Kosterlitz-Thouless Transition and Short Range Spatial Correlations in an Extended Hubbard Model
• Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory
• Self-energy-functional approach: Analytical results and the Mott-Hubbard transition
• Spatial Correlations in Dynamical Mean Field Theory
• Dual boson approach to collective excitations in correlated fermionic systems
• Numerical Renormalization Group Study of the Anderson-Holstein Impurity Model
• Truncated Configuration Interaction expansions as solvers for correlated quantum impurity models and dynamical mean field theory
• Heavy-fermion and spin-liquid behavior in a Kondo lattice with magnetic frustration
• Long-range Coulomb interactions in surface systems: a first principles description within self-consistently combined GW and dynamical mean field theory
• Effective action approach to strongly correlated fermion systems
• Updated Core Libraries of the ALPS Project
• Correlated Electron Materials and Field Effect Transistors for Logic: A Review
• Beyond extended dynamical mean-field theory: Dual boson approach to the two-dimensional extended Hubbard model
• Microscopic conditions favoring itinerant ferromagnetism
• Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening
• Extended dynamical mean-field study of the Hubbard model with long range interactions
• Dynamical screening effects in correlated materials: plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory
• Charge ordering and correlation effects in the extended Hubbard model
• Efficient implementation of the continuous-time hybridization expansion quantum impurity solver
• Continuous-Time Quantum Monte Carlo Method for the Coqblin-Schrieffer Model
• Role of direct exchange and Dzyaloshinskii-Moriya interactions in magnetic properties of graphene derivatives: C${}_2$F and C${}_2$H
• Self-consistent Dual Boson approach to single-particle and collective excitations in correlated systems
• Dynamical screening in correlated electron systems - from lattice models to realistic materials
• Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory
• The Metal-Insulator Transition in the Hubbard Model at Zero Temperature II
• The Kondo Resonance in Electron Spectroscopy
• Numerical renormalization group study of the symmetric Anderson-Holstein model: phonon and electron spectral functions
• From local to non-local correlations: the Dual Boson perspective
• Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory
• Spin-orbit coupling and magnetic interactions in Si(111):{C,Si,Sn,Pb}
• Capturing non-local interaction effects in the Hubbard model: optimal mappings and limits of applicability
• Quantum criticality of the sub-ohmic spin-boson model
• Mott-Anderson transition in disordered charge transfer model: insights from typical medium theory

Cited by in corpus (13)

• Self-energy embedding theory (SEET) for periodic systems
• Charge order and antiferromagnetism in the extended Hubbard model
• Charge ordering and non-local correlations in the doped extended Hubbard model
• Dynamical Mean-Field Theory Simulations with the Adaptive Sampling Configuration Interaction Method
• Extending Density Matrix Embedding: A Static Two-Particle Theory
• Non-linear responses and three-particle correlators in correlated electron systems exemplified by the Anderson impurity model
• Short-range charge fluctuations in the two-dimensional Hubbard model
• Quantum entanglement, local indicators and effect of external fields in the Kugel-Khomskii model
• How Can We Engineer Electronic Transitions Through Twisting and Stacking in TMDC Bilayers and Heterostructures? A First-Principles Approach
• Trie-based ranking of quantum many-body states
• Full configuration interaction quantum Monte Carlo for coupled electron--boson systems and infinite spaces
• Superlight pairs in face-centred-cubic extended Hubbard models with strong Coulomb repulsion
• Dynamical Cluster Approximation Study of Electron Localization in the Extended Hubbard Model