Finite Temperature Minimal Entangled Typical Thermal States Impurity Solver

Abstract

We present a minimally entangled typical thermal state (METTS) quantum impurity solver for general multi-orbital systems at finite temperatures. We introduce an improved estimator for the single-particle Green's function that strongly reduces the large fluctuations at long imaginary time and low temperature, which were a severe limitation of the original algorithm. In combination with the fork tensor product states ansatz, we obtain a dynamical mean field theory (DMFT) quantum impurity solver, which we benchmark for single and three-band models down to low temperatures, including the effect of spin-orbit coupling in a realistic DMFT computation for the Hund's metal Sr${}_2$RuO${}_4$ down to low temperatures.

References in corpus (70)

• The density-matrix renormalization group in the age of matrix product states
• 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
• The numerical renormalization group method for quantum impurity systems
• Matrix Product Density Operators: Simulation of finite-T and dissipative systems
• A continuous-time solver for quantum impurity models
• The ITensor Software Library for Tensor Network Calculations
• Strong electronic correlations from Hund's coupling
• Time-dependent variational principle for quantum lattices
• Unifying time evolution and optimization with matrix product states
• Continuous Time Quantum Monte Carlo method for fermions
• Mixed-state dynamics in one-dimensional quantum lattice systems: a time-dependent superoperator renormalization algorithm
• TRIQS: A Toolbox for Research on Interacting Quantum Systems
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• New Trends in Density Matrix Renormalization
• Finite Temperature Density Matrix Renormalization using an enlarged Hilbert space
• Zero temperature metal-insulator transition in the infinite-dimensional Hubbard model
• Minimally Entangled Typical Thermal State Algorithms
• TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems
• Finite temperature numerical renormalization group study of the Mott-transition
• Spin freezing transition and non-Fermi-liquid self-energy in a 3-orbital model
• The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
• Continuous-time auxiliary field Monte Carlo for quantum impurity models
• Minimally entangled typical quantum states at finite temperature
• Strong spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4
• Efficient real frequency solver for dynamical mean field theory
• Numerical Renormalization Group for Quantum Impurities in a Bosonic Bath
• High-resolution photoemission on Sr2RuO4 reveals correlation-enhanced effective spin-orbit coupling and dominantly local self-energies
• Time Dependent Variational Principle with Ancillary Krylov Subspace
• The low-energy scale of the periodic Anderson model
• Truncated Configuration Interaction expansions as solvers for correlated quantum impurity models and dynamical mean field theory
• Solving nonequilibrium dynamical mean-field theory using matrix product states
• Solving Dynamical Mean-Field Theory at very low temperature using Lanczos Exact Diagonalization
• Dynamical Mean Field Theory with the Density Matrix Renormalization Group
• Mott insulating states with competing orders in the triangular lattice Hubbard model
• Sum-rules and bath-parametrization for quantum cluster theories
• Chebyshev Matrix Product State Impurity Solver for the Dynamical Mean-Field Theory
• Temperature and bath size in exact diagonalization dynamical mean field theory
• Static vs. dynamical mean field theory of Mott antiferromagnets
• Metal-Insulator phase diagram and orbital selectivity in 3-orbital models with rotationally invariant Hund coupling
• Spin-Orbit Coupling and Electronic Correlations in Sr2RuO4
• Exponential Thermal Tensor Network Approach for Quantum Lattice Models
• The Fermi surface of Sr2RuO4: spin-orbit and anisotropic Coulomb interaction effects
• Fork Tensor Product States - Efficient Three Orbital Real Time DMFT Solver
• Chebyshev expansion for Impurity Models using Matrix Product States
• Efficient DMFT impurity solver using real-time dynamics with Matrix Product States
• Strongly correlated materials from a numerical renormalization group perspective: How the Fermi-liquid state of Sr${}_2$RuO${}_4$ emerges
• Stripes, Antiferromagnetism, and the Pseudogap in the Doped Hubbard Model at Finite Temperature
• Signatures of Mottness and Hundness in archetypal correlated metals
• Imaginary-time matrix product state impurity solver for dynamical mean-field theory
• Discrete Lehmann representation of imaginary time Green's functions
• Time Dependent Variational Principle for Tree Tensor Networks
• Finding purifications with minimal entanglement
• Magnetic response of Sr${}_2$RuO${}_4$: quasi-local spin fluctuations due to Hund's coupling
• Bath optimization in the Cellular Dynamical Mean Field Theory
• Imaginary-time matrix product state impurity solver in a real material calculation: Spin-orbit coupling in Sr${}_2$RuO${}_4$
• High Energy Dynamics of the Single Impurity Anderson Model
• Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation
• Sr${}_2$MoO${}_4$ and Sr${}_2$RuO${}_4$: Disentangling the Roles of Hund's and van Hove Physics
• Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory
• EDIpack: A parallel exact diagonalization package for quantum impurity problems
• Dynamical Mean-Field Theory on the Real-Frequency Axis: p-d Hybridizations and Atomic Physics in SrMnO${}_3$
• Symmetric minimally entangled typical thermal states for canonical and grand-canonical ensembles
• Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr${}_2$RuO${}_4$
• Matrix product state approach for a two-lead, multi-level Anderson impurity model
• Hybrid Purification and Sampling Approach for Thermal Quantum Systems
• The fate of quasiparticles at high-temperature
• Bose-Einstein condensation in honeycomb dimer magnets and $\mathrm{Y}{\mathrm{b}}_2\mathrm{S}{\mathrm{i}}_2{\mathrm{O}}_7$
• Minimally Entangled Typical Thermal States Algorithms for Finite Temperature Matsubara Green Functions

Cited by in corpus (1)

• Unraveling screening mechanisms in Kondo impurities using an NRG-MPS-based method