Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr${}_2$RuO${}_4$

Abstract

We present a tree tensor-network impurity solver suited for general multiorbital systems. The network is constructed to efficiently capture the entanglement structure and symmetry of an impurity problem. The solver works directly on the real-time/frequency axis and generates spectral functions with energy-independent resolution of the order of one percent of the correlated bandwidth. Combined with an optimized representation of the impurity bath, it efficiently solves self-consistent dynamical mean-field equations and calculates various dynamical correlation functions for systems with off-diagonal Green's functions. For the archetypal correlated Hund's metal Sr${}_2$RuO${}_4$, we show that both the low-energy quasiparticle spectra related to the van Hove singularity and the high-energy atomic multiplet excitations can be faithfully resolved. In particular, we show that while the spin-orbit coupling has only minor effects on the orbital-diagonal one-particle spectral functions, it has a more profound impact on the low-energy spin and orbital response functions.

arXiv commentUpdated results with SOC; as published

References in corpus (75)

• The density-matrix renormalization group in the age of matrix product states
• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• The density-matrix renormalization group
• A Practical Introduction to Tensor Networks: Matrix Product States and Projected Entangled Pair States
• Continuous-time Monte Carlo methods for quantum impurity models
• The numerical renormalization group method for quantum impurity systems
• Resonant Inelastic X-ray Scattering Studies of Elementary Excitations
• A continuous-time solver for quantum impurity models
• Strong electronic correlations from Hund's coupling
• Time-dependent variational principle for quantum lattices
• Unifying time evolution and optimization with matrix product states
• Time-evolution methods for matrix-product states
• Continuous Time Quantum Monte Carlo method for fermions
• Cellular Dynamical Mean Field Approach to Strongly Correlated Systems
• Classical simulation of quantum many-body systems with a tree tensor network
• Multiplet ligand-field theory using Wannier orbitals
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• New Trends in Density Matrix Renormalization
• Zero temperature metal-insulator transition in the infinite-dimensional Hubbard model
• Numerical Renormalization Group Calculations for the Self-energy of the impurity Anderson model
• Finite temperature numerical renormalization group study of the Mott-transition
• The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
• Simulating Strongly Correlated Quantum Systems with Tree Tensor Networks
• Strong spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4
• Efficient real frequency solver for dynamical mean field theory
• Detailed Topography of the Fermi Surface of Sr2RuO4
• Spectral functions in one-dimensional quantum systems at T>0
• Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model
• A Strictly Single-Site DMRG Algorithm with Subspace Expansion
• 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
• The low-energy scale of the periodic Anderson model
• DMFT+NRG study of spin-orbital separation in a three-band Hund's metal
• Chebyshev matrix product state approach for spectral functions
• 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
• The role of spin-orbit coupling for the superconducting state in Sr_2RuO_4
• Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean field theory
• Solving Dynamical Mean-Field Theory at very low temperature using Lanczos Exact Diagonalization
• Dynamical Mean Field Theory with the Density Matrix Renormalization Group
• Inelastic neutron scattering study of magnetic excitations in Sr${}_2$RuO${}_4$
• Pairing symmetry and dominant band in Sr2RuO4
• Sum-rules and bath-parametrization for quantum cluster theories
• Static vs. dynamical mean field theory of Mott antiferromagnets
• Spin-Orbit Coupling and Electronic Correlations in Sr2RuO4
• Spectral Functions with the Density Matrix Renormalization Group: Krylov-space Approach for Correction Vectors
• How to discretize a quantum bath for real-time evolution
• Fork Tensor Product States - Efficient Three Orbital Real Time DMFT Solver
• The Fermi surface of Sr2RuO4: spin-orbit and anisotropic Coulomb interaction effects
• 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
• Incommensurate magnetic ordering in Sr_2Ru_(1-x)Ti_xO_4
• Thermopower and Entropy: lessons from Sr${}_2$RuO${}_4$
• Hundness versus Mottness in a three-band Hubbard-Hund model: On the origin of strong correlations in Hund metals
• Lanczos algorithm with Matrix Product States for dynamical correlation functions
• Signatures of Mottness and Hundness in archetypal correlated metals
• Imaginary-time matrix product state impurity solver for dynamical mean-field theory
• Time Dependent Variational Principle for Tree Tensor Networks
• Electron spectra close to a metal-to-insulator transition
• LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
• Magnetic response of Sr${}_2$RuO${}_4$: quasi-local spin fluctuations due to Hund's coupling
• LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
• Matrix product state comparison of the numerical renormalization group and the variational formulation of the density matrix renormalization group
• High Energy Dynamics of the Single Impurity Anderson Model
• Imaginary-time matrix product state impurity solver in a real material calculation: Spin-orbit coupling in Sr${}_2$RuO${}_4$
• Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet
• Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory
• Efficient mapping for Anderson impurity problems with matrix product states
• Resonant inelastic x-ray scattering operators for $t_{2g}$ orbital systems
• Natural-Orbital Impurity Solver and Projection Approach for Green's Function
• Real-space cluster dynamical mean-field theory: Center focused extrapolation on the one- and two particle level
• Matrix product state approach for a two-lead, multi-level Anderson impurity model
• Interplay between spin-orbit coupling and van Hove singularity in the Hund's metallicity of Sr${}_2$RuO${}_4$
• Multi-dimensional Tensor Network Simulation of Open Quantum Dynamics in Singlet Fission

Cited by in corpus (15)

• Automatic structural optimization of tree tensor networks
• Accuracy of ghost-rotationally-invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size
• Combining Electron-Phonon and Dynamical Mean-Field Theory Calculations of Correlated Materials: Transport in the Correlated Metal Sr${}_2$RuO${}_4$
• Accuracy of ghost-rotationally-invariant slave-boson theory for multiorbital Hubbard models and realistic materials
• Dynamical correlation functions from complex time evolution
• Neural-network-supported basis optimizer for the configuration interaction problem in quantum many-body clusters: Feasibility study and numerical proof
• Anderson impurity solver integrating tensor network methods with quantum computing
• Enhanced Spin-Orbit Coupling in a Correlated Metal
• Third-order strong-coupling impurity solver for real-frequency DMFT: Accurate spectral functions for antiferromagnetic and photo-doped states
• Natural orbital impurity solver for real-frequency properties at finite temperature
• Finite Temperature Minimal Entangled Typical Thermal States Impurity Solver
• Linear Foundation Model for Quantum Embedding: Data-Driven Compression of the Ghost Gutzwiller Variational Space
• Multi-orbital dynamical mean-field theory with a complex-time solver
• Tree tensor network impurity solver based on Cayley-tree mapping
• Emergence of topological defects and spin liquid in a two-orbital spin-fermion model on the honeycomb lattice