Computing local multipoint correlators using the numerical renormalization group
arXiv:2101.00708 · doi:10.1103/PhysRevX.11.041007
Abstract
Local three- and four-point correlators yield important insight into strongly correlated systems and have many applications. However, the nonperturbative, accurate computation of multipoint correlators is challenging, particularly in the real-frequency domain for systems at low temperatures. In the accompanying paper, we introduce generalized spectral representations for multipoint correlators. Here, we develop a numerical renormalization group (NRG) approach, capable of efficiently evaluating these spectral representations, to compute local three- and four-point correlators of quantum impurity models. The key objects in our scheme are partial spectral functions, encoding the system's dynamical information. Their computation via NRG allows us to simultaneously resolve various multiparticle excitations down to the lowest energies. By subsequently convolving the partial spectral functions with appropriate kernels, we obtain multipoint correlators in the imaginary-frequency Matsubara, the real-frequency zero-temperature, and the real-frequency Keldysh formalisms. We present exemplary results for the connected four-point correlators of the Anderson impurity model, and for resonant inelastic x-ray scattering (RIXS) spectra of related impurity models. Our method can treat temperatures and frequencies -- imaginary or real -- of all magnitudes, from large to arbitrarily small ones.
arXiv commentSee also the jointly published paper [F. B. Kugler, S.-S. B. Lee, and J. von Delft, Phys. Rev. X 11, 041006 (2021); arXiv:2101.00707]
References in corpus (81)
- The density-matrix renormalization group in the age of matrix product states
- Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
- The numerical renormalization group method for quantum impurity systems
- Resonant Inelastic X-ray Scattering Studies of Elementary Excitations
- The ALPS project release 2.0: Open source software for strongly correlated systems
- Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
- TRIQS: A Toolbox for Research on Interacting Quantum Systems
- Multiplet ligand-field theory using Wannier orbitals
- Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
- Real-time dynamics in Quantum Impurity Systems: A Time-dependent Numerical Renormalization Group Approach
- Dynamical vertex approximation - a step beyond dynamical mean field theory
- Sum-rule Conserving Spectral Functions from the Numerical Renormalization Group
- Bethe-Salpeter Equation Calculations of Core Excitation Spectra
- Numerical Renormalization Group Calculations for the Self-energy of the impurity Anderson model
- TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems
- Energy resolution and discretization artefacts in the numerical renormalization group
- Non-abelian symmetries in tensor networks: a quantum symmetry space approach
- A Numerical Renormalization Group approach to Green's Functions for Quantum Impurity Models
- Efficient implementation of core-excitation Bethe Salpeter equation calculations
- Resonant X-rays at the Cu L-edge as a momentum dependent probe of the magnetic excitation spectrum in cuprates
- w2dynamics: Local one- and two-particle quantities from dynamical mean field theory
- Bond disproportionation and dynamical charge fluctuations in the perovskite rare earth nickelates
- Mott physics and spin fluctuations: a unified framework
- From infinite to two dimensions through the functional renormalization group
- DMFT+NRG study of spin-orbital separation in a three-band Hund's metal
- Efficient perturbation theory for quantum lattice models
- Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean field theory
- Improved Estimators for the Self-Energy and Vertex Function in Hybridization Expansion Continuous-Time Quantum Monte Carlo Simulations
- Updated Core Libraries of the ALPS Project
- Ab initio dynamical vertex approximation
- Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
- The magnetic excitation spectra in BaFeAs: a two-particle approach within DFT+DMFT
- One-particle irreducible functional approach - a new route to diagrammatic extensions of DMFT
- Conductivity in the square lattice Hubbard model at high temperatures: importance of vertex corrections
- Kondo decoherence: finding the right spin model for iron impurities in gold and silver
- Strongly correlated materials from a numerical renormalization group perspective: How the Fermi-liquid state of SrRuO emerges
- Momentum Dependence of Charge Excitations in the Electron-Doped Superconductor Nd1.85Ce0.15CuO4: a RIXS Study
- Tensor networks and the numerical renormalization group
- Hundness versus Mottness in a three-band Hubbard-Hund model: On the origin of strong correlations in Hund metals
- Efficient implementation of the continuous-time hybridization expansion quantum impurity solver
- Antiferromagnetic and d-wave pairing correlations in the strongly interacting two-dimensional Hubbard model from the functional renormalization group
- QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
- Dual Fermion Approach to Susceptibility of Correlated Lattice Fermions
- Generalized Wilson Chain for solving multichannel quantum impurity problems
- Using RIXS to uncover elementary charge and spin excitations in correlated materials
- Mott physics and collective modes: an atomic approximation of the four-particle irreducible functional
- X-Symbols for Non-Abelian Symmetries in Tensor Networks
- Mott Gap Excitations and Resonant Inelastic X-Ray Scattering in Doped Cuprates
- LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
- Worm Improved Estimators in Continuous-time Quantum Monte Carlo
- Multipoint correlation functions: spectral representation and numerical evaluation
- Orbital differentiation in Hund metals
- Microscopic origin of spin-orbital separation in Sr2CuO3
- Continuous-time Quantum Monte Carlo using Worm Sampling
- Doublon-holon origin of the subpeaks at the Hubbard band edges
- Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations
- Interleaved numerical renormalization group as an efficient multiband impurity solver
- Correlated starting points for the functional renormalization group
- Unraveling the Nature of Charge Excitations in LaCuO with Momentum-Resolved Cu -edge Resonant Inelastic X-ray Scattering
- Exact diagonalization results for resonant inelastic x-ray scattering spectra of one-dimensional Mott insulators
- EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering
- Adaptive broadening to improve spectral resolution in the numerical renormalization group
- Continuous-time quantum Monte Carlo calculation of multi-orbital vertex asymptotics
- Symmetric Improved Estimators for Continuous-time Quantum Monte Carlo
- Ab initio calculations with the dynamical vertex approximation
- Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-ray Scattering
- Emergent Collective Modes and Kinks in Electronic Dispersions
- Anderson Orthogonality in the Dynamics After a Local Quantum Quench
- Local susceptibility and Kondo scaling in the presence of finite bandwidth
- Absorption and Emission in quantum dots: Fermi surface effects of Anderson excitons
- SU(3) Anderson impurity model: A numerical renormalization group approach exploiting non-Abelian symmetries
- Iron impurities in gold and silver: Comparison of transport measurements to numerical renormalization group calculations exploiting non-Abelian symmetries
- The AbinitioDA Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory
- Generic susceptibilities of the half-filled Hubbard model in infinite dimensions
- Surprises in the phase diagram of an Anderson impurity model for a single C molecule
- Global phase diagram of a spin-orbital Kondo impurity model and the suppression of Fermi-liquid scale
- Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU(2)SU(3) Spin-Orbital Kondo Model
- Description of resonant inelastic x-ray scattering in correlated metals
- Filling-driven Mott transition in SU(N) Hubbard models
- Anderson Orthogonality and the Numerical Renormalization Group
- Equilibrium Fermi-liquid coefficients for the fully screened N-channel Kondo model