Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach

Abstract

We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down. We illustrate the method with several examples where interactions play a dominant role: systems near metal-insulator transition, systems near volume collapse transition, and systems with local moments.

88 pages. Submitted to Review of Modern Physics

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• How to discretize a quantum bath for real-time evolution
• Mott physics and first-order transition between two metals in the normal state phase diagram of the two-dimensional Hubbard model
• Thermal conductivity and electrical resistivity of solid iron at Earth's core conditions from first-principles
• Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
• Reconciliation of experiments and theory on transport properties of iron and the geodynamo
• Thermal Energy Transport in Oxide Nuclear Fuel
• Pseudogap and Mott Transition Studied by Cellular Dynamical Mean Field Theory
• Fork Tensor Product States - Efficient Three Orbital Real Time DMFT Solver
• Quantum Theory of Rare-Earth Magnets
• Biology and medicine in the landscape of quantum advantages
• Exact Kohn-Sham potential of strongly correlated finite systems
• The $\gamma$-$\alpha$ iso-structural Transition in Cerium, a Critical Element
• Bad-metal behavior reveals Mott quantum criticality in doped Hubbard models
• Extended dynamical mean-field study of the Hubbard model with long range interactions
• First-principles theory of magnetic multipoles in condensed matter systems
• Dynamical mean field solution of the Bose-Hubbard model
• Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe
• Correlation effects in total energy of transition metals and related properties
• Forces for Structural Optimizations in Correlated Materials within DFT+Embedded DMFT Functional Approach
• Conductivity in the square lattice Hubbard model at high temperatures: importance of vertex corrections
• Classification of the electronic correlation strength in the Fe-pnictides: The case of the parent compound BaFe2As2
• Quantum electrodynamics of intense laser-matter interactions: A tool for quantum state engineering
• Covalency in transition metal oxides within all-electron Dynamical Mean Field Theory
• Strongly correlated materials from a numerical renormalization group perspective: How the Fermi-liquid state of Sr${}_2$RuO${}_4$ emerges
• Efficient implementation of the Gutzwiller variational method
• Efficient treatment of two-particle vertices in dynamical mean-field theory
• A Unified Stochastic Formulation of Dissipative Quantum Dynamics. I. Generalized Hierarchical Equations
• Covalency, double-counting and the metal-insulator phase diagram in transition metal oxides
• Effect of nematic ordering on electronic structure of FeSe
• Complexity of quantum impurity problems
• Plutonium hexaboride is a correlated topological insulator
• Applications of DFT+DMFT in Materials Science
• Impact of nonlocal correlations over different energy scales: A Dynamical Vertex Approximation study
• Finite temperature quantum embedding theories for correlated systems
• Orbital selective and tunable Kondo effect of magnetic adatoms on graphene: Correlated electronic structure calculations
• Controlling the Kondo Effect in CoCu_n Clusters Atom by Atom
• Critical Quadrupole Fluctuations and Collective Modes in Iron Pnictide Superconductors
• Simulation complexity of open quantum dynamics: Connection with tensor networks
• Gutzwiller density functional theory for correlated electron systems
• Parameter-free hybrid functional based on an extended Hubbard model: DFT+U+V
• Thermoelectricity in correlated narrow-gap semiconductors
• Mott-Hubbard transition in V2O3 revisited
• Screened Coulomb interaction calculations: cRPA implementation and applications to dynamical screening and self-consistency in uranium dioxide and cerium
• Auxiliary master equation approach within matrix product states: Spectral properties of the nonequilibrium Anderson impurity model
• Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?
• Unraveling the Mott-Peierls intrigue in Vanadium dioxide
• Nodal/Antinodal Dichotomy and the Two Gaps of a Superconducting Doped Mott Insulator
• Calculations of Magnetic Exchange Interactions in Mott--Hubbard Systems
• Effective Onsite Interaction for Dynamical Mean-Field Theory
• Approaching finite-temperature phase diagrams of strongly correlated materials: a case study for V2O3
• Systematic beyond-DFT study of binary transition metal oxides
• Equation of state of paramagnetic CrN from ab initio molecular dynamics
• Evolution of the Kondo lattice electronic structure above the transport coherence temperature
• Structural relaxation due to electronic correlations in the paramagnetic insulator KCuF3
• Quantum dynamical screening of the local magnetic moment in Fe-based superconductors
• Electronic correlations in monolayer VS${}_2$
• Magnetic properties of (Fe${}_{1-x}$Co${}_x$)${}_2$B alloys and the effect of doping by 5$d$ elements
• Pressure-Driven Metal-Insulator Transition in Hematite from Dynamical Mean-Field Theory
• Normal State Correlated Electronic Structure of Iron Pnictides
• Optical and DC conductivity of the two-dimensional Hubbard model in the pseudogap regime and across the antiferromagnetic quantum critical point, including vertex corrections
• Green's function formulation of quantum defect embedding theory
• Transport properties of Metallic Ruthenates: a DFT+DMFT investigation
• A Self-consistent DFT+DMFT scheme in the Projector Augmented Wave : Applications to Cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT+U
• Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5
• Competing d${}_{xy}$ and s${}_{\pm }$ Pairing Symmetries in Superconducting La${}_3$Ni${}_2$O${}_7$ emerge from LDA+FLEX Calculations
• Electronic structure of (LaNiO${}_3$)${}_2$/(LaAlO${}_3$)${}_N$ heterostructures grown along [111]
• Comparing $GW$+DMFT and LDA+DMFT for the testbed material SrVO${}_3$
• Self-consistent DFT+U method for real-space time-dependent density functional theory calculations
• Dynamical Mean-Field Theory for Quantum Chemistry
• Correlated band theory of spin and orbital contributions to Dzyaloshinskii-Moriya interactions
• The Magnetoelectric Effect in Transition Metal Oxides: Insights and the Rational Design of New Materials from First Principles
• Linear resistivity and Sachdev-Ye-Kitaev (SYK) spin liquid behavior in a quantum critical metal with spin-$1/2$ fermions
• Charge transfer driven emergent phenomena in oxide heterostructures
• T=0 heavy fermion quantum critical point as an orbital selective Mott transition
• Towards a Larger Molecular Simulation on the Quantum Computer: Up to 28 Qubits Systems Accelerated by Point Group Symmetry
• Dynamical Mean-Field Theory for Molecular Electronics: Electronic Structure and Transport Properties
• Signatures of the Mott transition in the antiferromagnetic state of the two-dimensional Hubbard model
• Designing light-element materials with large effective spin-orbit coupling
• Systematic electronic structure in the cuprate parent state from quantum many-body simulations
• Orbital selective Fermi surface shifts and mechanism of high T${}_c$ superconductivity in correlated AFeAs (A=Li,Na)
• Calculated Exchange Interactions and Sensitivity of Ni Two-Hole Spin State to Hund's Coupling in Doped NdNiO2
• Efficient implementation of the continuous-time hybridization expansion quantum impurity solver
• $i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
• Charge ordering and correlation effects in the extended Hubbard model
• Comparison between experiment and calculated band structures for DyN and SmN
• Computation of correlation-induced atomic displacements and structural transformations in paramagnetic KCuF3 and LaMnO3
• Stripes, Antiferromagnetism, and the Pseudogap in the Doped Hubbard Model at Finite Temperature
• Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory
• Signatures of Mottness and Hundness in archetypal correlated metals
• Doped Mott insulator as the origin of heavy Fermion behavior in LiV2O4
• Structural Phase Transitions of the Metal Oxide Perovskites SrTiO3, LaAlO3 and LaTiO3 Studied with a Screened Hybrid Functional
• Optical Weights and Waterfalls in Doped Charge Transfer Insulators: an LDA+DMFTStudy of LSCO
• Quantum embedding methods for correlated excited states of point defects: Case studies and challenges
• Collective Charge Excitations of Strongly Correlated Electrons, Vertex Corrections and Gauge Invariance
• Evidence for strong electronic correlations in the spectra of Sr${}_2$RuO${}_4$
• Imaginary-time matrix product state impurity solver for dynamical mean-field theory
• Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition
• Spectral functions and time evolution from the Chebyshev recursion
• Dual Fermion Approach to Susceptibility of Correlated Lattice Fermions
• Ab Initio Full Cell GW+DMFT for Correlated Materials
• Electronic correlations determine the phase stability of iron up to the melting temperature
• Analytic continuation by averaging Padé approximants
• Site-Selective Electronic Correlation in alpha-Plutonium Metal
• From plane waves to local Gaussians for the simulation of correlated periodic systems
• An organizing principle for two-dimensional strongly correlated superconductivity
• Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy
• The nature of Itinerant Ferromagnetism of SrRuO3 : A DFT+DMFT Study
• Efficient First-Principles Approach with a Pseudohybrid Density Functional for Extended Hubbard Interactions
• Na Induced Correlations in Na${}_x$CoO${}_2$
• Enhanced Superconductivity in Superlattices of High-$T_c$ Cuprates
• Toward Practical Quantum Embedding Simulation of Realistic Chemical Systems on Near-term Quantum Computers
• Optical properties of the infinite-layer La${}_{1-x}$Sr${}_x$NiO${}_2$ and hidden Hund's physics
• Ab initio downfolding for electron-phonon coupled systems: constrained density-functional perturbation theory (cDFPT)
• Reconstructing non-equilibrium regimes of quantum many-body systems from the analytical structure of perturbative expansions
• Mechanism and Control Parameters of the Coupled Structural and Metal-Insulator Transition in Nickelates
• Orbital magnetism in transition-metal systems: The role of local correlation effects
• Practical consequences of Luttinger-Ward functional multivaluedness for cluster DMFT methods
• Generalized self-energy embedding theory
• Theoretical unification of hybrid-DFT and DFT+U methods for the treatment of localized orbitals
• Electronic Structure Calculations of Magnetic Exchange Interactions in Europium Monochalcogenides
• Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2
• Spin state of negative charge-transfer material SrCoO3
• Stripe and superconducting order competing in the Hubbard model on a square lattice studied by a combined variational Monte Carlo and tensor network method
• Mechanisms of finite temperature magnetism in the three-dimensional Hubbard model
• The intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model
• Merging GW with DMFT and non-local correlations beyond
• Electron correlations in Co${}_2$Mn${}_{1-x}$Fe${}_x$Si Heusler compounds
• Dynamical mean-field theory for bosons
• Spin excitations in metallic kagome lattice FeSn and CoSn
• General DFT++ method implemented with projector augmented waves: Electronic structure of SrVO${}_3$ and the Mott Transition in Ca${}_{2-x}$Sr${}_x$RuO${}_4$
• Hubbard band or oxygen vacancy states in the correlated electron metal SrVO${}_3$?
• Intermediate Coupling Model of the Cuprates
• Correlated Dirac Particles and Superconductivity on the Honeycomb Lattice
• Spectral functions of strongly correlated extended systems via an exact quantum embedding
• Valence-Bond Dynamical Mean-Field Theory of Doped Mott Insulators with Nodal/Antinodal Differentiation
• Phase diagram of nickelate superconductors calculated by dynamical vertex approximation
• Metal-Insulator Transition and Lattice Instability of Paramagnetic V2O3
• Chiral triplet superconductivity on the graphene lattice
• Dynamical screening in correlated electron systems - from lattice models to realistic materials
• c-axis resistivity, pseudogap, superconductivity and Widom line in doped Mott insulators
• Effect of Crystal-Field Splitting and Inter-Band Hybridization on the Metal-Insulator Transitions of Strongly Correlated Systems
• Superconducting Symmetries of Sr${}_2$RuO${}_4$ from First-Principles Electronic Structure
• Towards near-term quantum simulation of materials
• JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods
• Electron correlations in Mn${}_x$Ga${}_{1-x}$As as seen by resonant electron spectroscopy and dynamical mean field theory
• LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
• First-Order Insulator-to-Metal Mott Transition in the Paramagnetic 3D System GaTa4Se8
• Reduced Density Matrix Sampling: Self-consistent Embedding and Multiscale Electronic Structure on Current Generation Quantum Computers
• Magnetic Collapse and the Behavior of Transition Metal Oxides at High Pressure
• Breakup of the Fermi surface near the Mott transition in low-dimensional systems
• Analytic response theory for the density matrix renormalization group
• LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
• Coupled-cluster impurity solvers for dynamical mean-field theory
• Metal-insulator transition and local-moment collapse in FeO under pressure
• Bath optimization in the Cellular Dynamical Mean Field Theory
• How correlated is the FeSe/SrTiO${}_3$ system ?
• Strange metal from local quantum chaos
• Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications
• Dynamical electronic nematicity from Mott physics
• Strong magnetic instability in correlated metal Bi2Ir2O7
• Ab initio electron-phonon interactions in correlated electron systems
• Electronic spectrum in high-temperature cuprate superconductors
• Systematic improvability in quantum embedding for real materials
• Dynamical vertex approximation for nanoscopic systems
• Towards an integrated modeling of the plasma-solid interface
• Local moment versus Kondo behavior of the 4f-electrons in rare-earth iron oxypnictides
• Interaction-tuned Anderson versus Mott localization
• Multiloop functional renormalization group for the two-dimensional Hubbard model: Loop convergence of the response functions
• Heavy quasiparticles and cascades without symmetry breaking in twisted bilayer graphene
• Exotic s-wave superconductivity in alkali-doped fullerides
• From antiferromagnetic insulator to correlated metal in pressurized and doped LaMnPO
• Ultrafast Dynamics of Strongly Correlated Fermions -- Nonequilibrium Green Functions and Selfenergy Approximations
• Importance of d-p Coulomb interaction for high T${}_C$ cuprates and other oxides
• Rigorous ab initio quantum embedding for quantum chemistry using Green's function theory: screened interaction, non-local self-energy relaxation, orbital basis, and chemical accuracy
• Half Excitonic Insulator: A Single-Spin Bose-Einstein Condensate
• Valence Fluctuations and Quasiparticle Multiplets in Pu Chalcogenides and Pnictides
• Kondo effect and conductance of nanocontacts with magnetic impurities
• Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo
• Room temperature magnetism in LaVO3/SrVO3 superlattices by geometrically confined doping
• The doping-driven evolution of the superconducting state of a doped Mott insulator: a key for the high temperature superconductivity
• Diagrammatic Monte Carlo for Dual Fermions
• Ab initio GW plus cumulant calculation for isolated band system: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3
• Impact of partially bosonized collective fluctuations on electronic degrees of freedom
• Microscopic nature of correlations in multi-orbital AFe2As2 (A=K, Rb, Cs): Hund's coupling versus Coulomb repulsion
• Electron-magnon scattering in elementary ferromagnets from first principles: lifetime broadening and band anomalies
• Ab-Initio self-energy embedding for the photoemission spectra of NiO and MnO
• Mott Transition and Magnetism in Rare Earth Nickelates and its Fingerprint on the X-ray Scattering
• Rigorous wave function embedding with dynamical fluctuations
• Hierarchical equations of motion for impurity solver in dynamical mean-field theory
• Superperturbation solver for quantum impurity models
• Charge self-consistent many-body corrections using optimized projected localized orbitals
• Rare-earth/transition-metal magnets at finite temperature: Self-interaction-corrected relativistic density functional theory in the disordered local moment picture
• Multisite versus multiorbital Coulomb correlations studied within finite-temperature exact diagonalization dynamical mean-field theory
• Calculated Momentum Dependence of Zhang-Rice States in Transition Metal Oxides
• Entanglement entropy and mutual information across the Mott transition in the two-dimensional Hubbard model
• Electronic structure of cerium: A comprehensive first-principles study
• Doublon-holon origin of the subpeaks at the Hubbard band edges
• Doping evolution of the charge excitations and electron correlations in electron-doped superconducting La${}_{2-x}$Ce${}_x$CuO${}_4$
• Density Functional plus Dynamical Mean-Field Theory of the Spin-Crossover Molecule Fe(phen)${}_2$(NCS)${}_2$
• Thermoelastic properties of $\alpha$-iron from first-principles
• Quantum-classical simulation of two-site dynamical mean-field theory on noisy quantum hardware
• Dynamical mean-field approach to materials with strong electronic correlations
• Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations
• Self-Consistent Green Function Embedding for Advanced Electronic Structure Methods Based on a Dynamical Mean-Field Concept
• Heavy Fermion Quantum Criticality and Destruction of the Kondo Effect in a Nickel Oxypnictide
• Derivation of Static Low-Energy Effective Models by ab initio Downfolding Method without Double Counting of Coulomb Correlations: Application to SrVO3, FeSe and FeTe
• Fully Self-Consistent Finite-Temperature $GW$ in Gaussian Bloch Orbitals for Solids
• Edge states reconstruction from strong correlations in quantum spin Hall insulators
• Determinant Monte Carlo algorithms for dynamical quantities in fermionic systems
• On the exact formulation of multi-configuration density-functional theory: electron density versus orbitals occupation
• Towards a full ab initio theory of strong electronic correlations in nanoscale devices
• Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
• Shining light on transition metal oxides: unveiling the hidden Fermi Liquid
• ComDMFT: a Massively Parallel Computer Package for the Electronic Structure of Correlated-Electron Systems
• Quantum Order-by-Disorder in Strongly Correlated Metals
• Efficient temperature-dependent Green's function methods for realistic systems: using cubic spline interpolation to approximate Matsubara Green's functions
• First-principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials
• Understanding Electronic Peculiarities in Tetragonal FeSe as Local Structural Symmetry Breaking
• A route to room temperature ferromagnetic ultrathin SrRuO${}_3$ films
• Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
• Imaginary-time matrix product state impurity solver in a real material calculation: Spin-orbit coupling in Sr${}_2$RuO${}_4$
• Electronic structure and magnetic properties of NaOsO${}_3$
• Nearly Optimal Quantum Algorithm for Estimating Multiple Expectation Values
• Photonics and Spectroscopy in Nanojunctions: A Theoretical Insight
• Comparative Many-Body Study of Pr${}_4$Ni${}_3$O${}_8$ and NdNiO${}_2$
• Collective Modes in Excitonic Magnets: Dynamical Mean-Field Study
• Ferrodistortive instability at the (001) surface of half-metallic manganites
• Antiferromagnetism in the Hubbard model on the honeycomb lattice: a Two-Particle Self-Consistent study
• Correlated materials design: prospects and challenges
• Band Excitations in CePd${}_3$: A Comparison of Neutron Scattering and ab initio Theory
• Density functional plus dynamical mean field theory of the metal-insulator transition in early transition metal oxides
• From local to non-local correlations: the Dual Boson perspective
• Quantum Phase Transition in the Yukawa-SYK Model
• Enhanced Spin-polarization via Partial Ge1-dimerization as the Driving Force of the 2$\times$2$\times$2 CDW in FeGe
• A Coherent Nonlinear Optical Signal Induced by Electron Correlations
• Charge-transfer effect in hard x-ray 1$s$ and 2$p$ photoemission spectra: LDA+DMFT and cluster-model analysis
• Spin-density functional theories and their $+U$ and $+J$ extensions: a comparative study of transition metals and transition metal oxides
• Lazy skip lists, a new algorithm for fast hybridization-expansion quantum Monte Carlo
• Two-particle response in Cluster Dynamical Mean-Field Theory: Formalism and application to the Raman Response of High-temperature Superconductors
• High Surface Conductivity of Fermi Arc Electrons in Weyl semimetals
• Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling
• Correlation-driven topological Fermi surface transition in FeSe
• Temperature Dependence of Spin and Charge Orders in the Doped Two-Dimensional Hubbard Model
• A Quantum Monte Carlo algorithm for out-of-equilibrium Green's functions at long times
• LDA+Gutzwiller Method for Correlated Electron Systems
• Efficient lattice dynamics calculations for correlated materials with DFT+DMFT
• EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering
• EuCo2P2: A Model Molecular-Field Helical Heisenberg Antiferromagnet
• Spectral properties of the three-dimensional Hubbard model
• Temperature Evolution of Itinerant Ferromagnetism in SrRuO3 Probed by Optical Spectroscopy
• Universality in the Electronic Structure of 3d Transition Metal Oxides
• Anomalous temperature evolution of the electronic structure of FeSe
• Fermi-liquid behavior and thermal conductivity of ε-iron at Earth's core conditions
• Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: a study with an auxiliary-field quantum Monte Carlo solver
• Thermodynamics of the three-dimensional Hubbard model: Implications for cooling cold atomic gases in optical lattices
• Identifying the electronic character and role of the Mn states in the valence band of (Ga,Mn)As
• Multi-orbital Non-Crossing Approximation from maximally localized Wannier functions: the Kondo signature of copper phthalocyanine on Ag (100)
• Self-consistent ladder D$\Gamma$A approach
• Anderson-Hubbard model with box disorder: Statistical dynamical mean-field theory investigation
• Performance analysis of a physically constructed orthogonal representation of imaginary-time Green's function
• Efficient Bethe-Salpeter equations' treatment in dynamical mean-field theory
• Latent Instabilities in Metallic LaNiO3 Films by Strain Control of Fermi-Surface Topology
• Electronic structure of the putative room-temperature superconductor Pb${}_9$Cu(PO${}_4$)${}_6$O
• Realistic many-body models for Manganese Monoxide under pressure
• Quantum Monte Carlo study for multiorbital systems with preserved spin and orbital rotational symmetries
• Treatment of 4f states of the rare-earths: the case study of TbN
• Metal-Insulator Transition and the Role of Electron Correlation in FeO2
• Local Hamiltonians for quantitative Green's function embedding methods
• Effective crystal field and Fermi surface topology: a comparison of d- and dp-orbital models
• Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)
• Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation
• Machine learning for molecular dynamics with strongly correlated electrons
• Photoinduced phase transitions in narrow-gap Mott insulators: the case of VO${}_2$
• Spectral properties of transition metal pnictides and chalcogenides: angle-resolved photoemission spectroscopy and dynamical mean field theory
• Triangular Spin-Orbit-Coupled Lattice with Strong Coulomb Correlations: Sn Atoms on a SiC(0001) Substrate
• Importance of subleading corrections for the Mott critical point
• Effective Coulomb interactions within BEDT-TTF dimers
• Anisotropic optical conductivity of the putative Kondo insulator CeRu${}_4$Sn${}_6$
• Gutzwiller Hybrid Quantum-Classical Computing Approach for Correlated Materials
• Strain Enhanced Superconductivity in Li-Doped Graphene
• DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
• Electrodynamics near the Metal-to-Insulator Transition in V3O5
• Multiorbital Quantum Impurity Solver for General Interactions and Hybridizations
• Semiclassical dynamics of spin density waves
• Itinerant ferromagnetism in actinide 5f electrons system: Phenomenological analysis with spin fluctuation theory
• Electronic Structure and Correlation Effects in PuCoIn5 as compared to PuCoGa5
• Electronic correlations and crystal structure distortions in BaBiO3
• Covalency and the metal-insulator transition in titanate and vanadate perovskites
• Kondo Phase in Twisted Bilayer Graphene -- A Unified Theory for Distinct Experiments
• Origin and fate of the pseudogap in the doped Hubbard model
• Correlation-driven Lifshitz transition at the emergence of the pseudogap phase in the two-dimensional Hubbard model
• Dependence of DFT+DMFT Results on the Construction of the Correlated Orbitals
• Random Phase Approximation for gapped systems: role of vertex corrections and applicability of the constrained random phase approximation
• On the theory of superconductivity in the extended Hubbard model: Spin-fluctuation pairing
• DCA${}^{+}$: Dynamical Cluster Approximation with continuous lattice self-energy
• Charge Fluctuations and the Valence Transition in Yb under Pressure
• Spin coupling around a carbon atom vacancy in graphene
• Correlated electronic structures and unconventional superconductivity in bilayer nickelate heterostructures
• Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory
• Orbital selective spin excitations and their impact on superconductivity of LiFe1-xCoxAs
• Is the orbital-selective Mott phase stable against interorbital hopping?
• A dynamical mean-field theory study of stripe order and d-wave superconductivity in the two-dimensional Hubbard model
• Vertical temperature-boundary of the pseudogap under the superconducting dome of the Bi2Sr2CaCu2O8+d phase-diagram
• Correlated electronic structure and chemical bonding of Ce pnictides and gamma-Ce
• Poor Man's Understanding of Kinks Originating from Strong Electronic Correlations
• Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-ray Scattering
• Electronic correlations in FeGa${}_3$ and the effect of hole doping on its magnetic properties
• EDIpack: A parallel exact diagonalization package for quantum impurity problems
• Measuring Electron Correlation. The Impact of Symmetry and Orbital Transformations
• Perspective: Strongly correlated and topological states in [111] grown transition metal oxide thin films and heterostructures
• Predicting the conductance of strongly correlated molecules: the Kondo effect in perchlorotriphenylmethyl/Au junctions
• Ab initio calculations with the dynamical vertex approximation
• Electronic Structure of Superconducting Infinite-Layer Lanthanum Nickelates
• Charge self-consistency in density functional theory + dynamical mean field theory: k-space reoccupation and orbital order
• Theory of $L$-edge spectroscopy of strongly correlated systems
• Cluster Dual Fermion Approach to Nonlocal Correlations
• First principles vs second principles: Role of charge self-consistency in strongly correlated systems
• Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study
• Distributional exact diagonalization formalism for quantum impurity models
• Mott-Hubbard and Anderson metal-insulator transitions in correlated lattice fermions with binary disorder
• Orbital-selective Kondo-lattice and enigmatic f-electrons emerging from inside the antiferromagnetic phase of a heavy fermion
• Energy-weighted density matrix embedding of open correlated chemical fragments
• DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods
• Synchrotron Radiation Techniques and their Application to Actinide Materials
• Electronic structure of pristine and Ni-substituted LaFeO${}_3$ from near edge x-ray absorption fine structure experiments and first-principles simulations
• Rotationally invariant slave-boson and density matrix embedding theory: A unified framework and a comparative study on the 1D and 2D Hubbard Model
• Thermodynamic and information-theoretic description of the Mott transition in the two-dimensional Hubbard model
• Local density approximation in site-occupation embedding theory
• Adaptively truncated Hilbert space based impurity solver for dynamical mean-field theory
• Spin-state transition and spin-polaron physics in cobalt oxide perovskites: ab initio approach based on quantum chemical methods
• TBG as Topological Heavy Fermion: II. Analytical approximations of the model parameters
• $\alpha -\gamma$ transition in cerium: magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
• Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
• Nature of the 5$f$ electronic structure of plutonium
• Phase Diagram of Na${}_x$CoO${}_2$ Studied by Gutzwiller Density Functional Theory
• Mixed valency in cerium oxide crystallographic phases: Determination of valence of the different cerium sites by the bond valence method
• Open System Tensor Networks and Kramers' Crossover for Quantum Transport
• On the separability of dynamical and non-local correlations in three dimensions
• Padé approximants for improved finite-temperature spectral functions in the numerical renormalization group
• Absence of a quantum limit to charge diffusion in bad metals
• Quantum Boltzmann equation for strongly correlated systems: comparison to dynamical mean field theory
• Fully Algebraic and Self-consistent Effective Dynamics in a Static Quantum Embedding
• Fermion-boson vertex within Dynamical Mean-Field Theory
• Second-Order Multi-Reference Algebraic Diagrammatic Construction Theory for Photoelectron Spectra of Strongly Correlated Systems
• Bandstructure meets many-body theory: The LDA+DMFT method
• Topological properties and the dynamical crossover from mixed-valence to Kondo-lattice behavior in golden phase of SmS
• Avoided Quantum Criticality near Optimally Doped High Temperature Superconductors
• Double occupancy in DMFT and the Dual Boson approach
• Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO
• Fault-tolerant quantum simulation of materials using Bloch orbitals
• From real materials to model Hamiltonians with density matrix downfolding
• Electronic instability, layer selectivity and Fermi arcs in La${}_3$Ni${}_2$O${}_7$
• Reduced density-matrix functionals applied to the Hubbard dimer
• Efficient continuous-time quantum Monte Carlo algorithm for fermionic lattice models
• Relativistic Self-Consistent $GW$: Exact Two-Component Formalism with One-Electron Approximation for Solids
• Optical Properties of Correlated Materials -- or Why Intelligent Windows may look Dirty
• Electronic correlations and transport in iron at Earth's core conditions
• Pseudogap and singlet formation in cuprate and organic superconductors
• Orbital Kondo effect in Cobalt-Benzene sandwich molecules
• X-ray absorption branching ratio in actinides: LDA+DMFT approach
• Ab initio Derivation of Low-Energy Model for Alkali-Cluster-Loaded Sodalites
• Evolution of the dynamical pairing across the phase diagram of a strongly correlated high-temperature superconductor
• Screened moments and absence of ferromagnetism in FeAl
• The phonon softening due to melting of the ferromagnetic order in elemental iron
• Coexistence of ferromagnetic and stripe antiferromagnetic spin fluctuations in SrCo${}_2$As${}_2$
• Charge-fluctuations in lightly hole-doped cuprates: effect of vertex corrections
• Finite Temperature Auxiliary Field Quantum Monte Carlo in the Canonical Ensemble
• Characteristic Timescales of the Local Moment Dynamics in Hund's-metals
• Fermiology of Cuprates from First Principles: From Small Pockets to the Luttinger Fermi surface
• First-Principles Calculation of Spin and Orbital Contributions to Magnetically Ordered Moments in Sr${}_2$IrO${}_4$
• From Hunds insulator to Fermi liquid: Optical spectroscopy study of K doping in BaMn${}_2$As${}_2$
• A Tensor Train Continuous Time Solver for Quantum Impurity Models
• Non-local correlations in metals close to a charge order insulator transition
• Entropy, frustration and large thermopower of doped Mott insulators on the fcc lattice
• Two-site fluctuations and multipolar superexchange interactions in strongly correlated systems
• Testing self-energy embedding theory in combination with GW
• Phase separation in doped Mott insulators
• Correlated band structure of NiO, CoO and MnO by variational cluster approximation
• Pseudogap and superconductivity in two-dimensional doped charge-transfer insulators
• Electronic structure and magnetic correlations in trilayer nickelate superconductor La${}_4$Ni${}_3$O${}_{10}$ under pressure
• Unconventional Mott Transition in KxFe2-ySe2
• Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion
• Observation of spin-dependent dual ferromagnetism in perovskite ruthenates
• Capturing the ground state of uranium dioxide from first principles: crystal distortion, magnetic structure, and phonons
• Mottness on a triangular lattice
• The low-energy ARPES and heat capacity of Na${}_{0.3}$CoO${}_2$: A DMFT study
• Realistic modeling of the electronic structure and the effect of correlations for Sn/Si(111) and Sn/Ge(111) surfaces
• Hybrid quantum-classical algorithm for computing imaginary-time correlation functions
• Hubbard interactions in iron-based pnictides and chalcogenides: Slater parametrization, screening channels and frequency dependence
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• Composite Operator Method analysis of the underdoped cuprates puzzle
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• Calculating DMFT forces in ab-initio ultrasoft pseudopotential formalism
• Dynamical correlations in single-layer CrI${}_3$
• BaOsO${}_3$: A Hund's metal in the presence of strong spin-orbit coupling
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• Surface effects on the Mott-Hubbard transition in archetypal V${}_2$O${}_3$
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• Effect of orbital relaxation on the band structure of cuprate superconductors and implications for the superconductivity mechanism
• Analytic continuation-free Green's function approach to correlated electronic structure calculations
• First Principles Study of the Giant Magnetic Anisotropy Energy in Bulk Na4IrO4
• Quantitative comparison of Anderson impurity solvers applied to transport in quantum dots
• Investigation of the effective interactions for the Emery model by the constrained random-phase approximation and constrained functional renormalization group
• Band-Mott mixing hybridizes the gap in Fe${}_2$Mo${}_3$O${}_8$
• Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals
• Curie temperature study of the Y(Fe${}_{1-x}$Co${}_x$)${}_2$ and Zr(Fe${}_{1-x}$Co${}_x$)${}_2$ systems using mean-field theory and Monte Carlo method
• High ground state overlap via quantum embedding methods
• DFT+DMFT investigation of the magnetic phase transition in the itinerant ferromagnet Fe${}_3$GaTe${}_2$
• Challenges with relativistic GW calculations in solids and molecules
• Mechanism of carrier doping induced magnetic phase transitions in two-dimensional materials
• Improved effective vertices in the multi-orbital Two-Particle Self-Consistent method from Dynamical Mean-Field Theory
• The importance of electronic correlations in exploring the exotic phase diagram of layered Li${}_x$MnO${}_2$
• Transition from Pauli paramagnetism to Curie-Weiss behaviour in vanadium
• The DFT+${\Sigma }_2$ method for electron correlation effects at transition metal surfaces
• Information-theoretic measures of superconductivity in a two-dimensional doped Mott insulator
• Strongly correlated electrons: Analytic mean-field theories with two-particle self-consistency
• Exactly solvable model of strongly correlated $d$-wave superconductivity
• Green's function coupled cluster formulations utilizing extended inner excitations
• Signatures of spin-orbital states of ${t_{2g}}^2$ system in the optical conductivity : The case of $R$VO${}_3$ ($R$=Y and La)
• Local correlation functions of arbitrary order for the Falicov-Kimball model
• Gutzwiller variational wave function for multi-orbital Hubbard models in finite dimensions
• Electron-electron interaction strength in ferromagnetic nickel determined by spin-polarized positron annihilation
• Electronic Structure of LuRh2Si2: "Small" Fermi Surface Reference to YbRh2Si2
• Electronic correlations in short period (CrAs)${}_n$/(GaAs)${}_n$ ferromagnetic heterostructures
• Monte Carlo Study of an Inhomogeneous Blume-Capel Model
• Correlation Driven Topological Insulator-to-Weyl Semimetal Transition in Actinide System UNiSn
• Observation of flat bands due to band hybridization in 3d-electron heavy-fermion compound CaCu3Ru4O12
• Quasiparticle energy spectra of isolated atoms from coupled-cluster singles and doubles (CCSD): Comparison with exact CI calculations
• Nonadiabatic Time-Dependent Spin-Density Functional Theory for strongly correlated systems
• Cuprates, Manganites, and Cobaltites: Multielectron Approach to the Band Structure
• Non-Fermi-liquid behavior in cubic phase BaRuO${}_3$: A dynamical mean-field study
• Correlated electronic structure of Pb${}_{10-x}$Cu${}_x$(PO4)${}_6$O
• Brief review on iron-based superconductors: are there clues for unconventional superconductivity?
• Derivation of the Ghost Gutzwiller Approximation from Quantum Embedding principles: the Ghost Density Matrix Embedding Theory
• Pyqcm: An open-source Python library for quantum cluster methods
• No superconductivity in Pb${}_9$Cu${}_1$(PO${}_4$)${}_6$O found in orbital and spin fluctuation exchange calculations
• Correlation strength, orbital-selective incoherence, and local moments formation in the magnetic MAX-phase Mn${}_2$GaC
• Emerging mechanisms of magnetocaloric effect in phase-separated metals
• Single- and Multimagnon Dynamics in Antiferromagnetic $\alpha$-Fe${}_2$O${}_3$ Thin Films
• Smart local orbitals for efficient calculations within density functional theory and beyond
• DFT+$U$ within the framework of linear combination of numerical atomic orbitals
• Microscopic description of insulator-metal transition in high-pressure oxygen
• Charge disproportionation and site-selective local magnetic moments in the post-perovskite-type Fe${}_2$O${}_3$ under ultra-high pressures
• Metal-insulator transition and local-moment collapse in negative charge-transfer CaFeO${}_3$ under pressure
• ${}^{239}$Pu nuclear magnetic resonance in the candidate topological insulator PuB${}_4$
• Enhanced electron correlations at the SrxCa1-xVO3 surface
• Charge-Order on the Triangular Lattice: A Mean-Field Study for the Lattice $S=1/2$ Fermionic Gas
• Mott transitions with partially-filled correlated orbitals
• Extended Falicov-Kimball model: Exact solution for finite temperatures
• Accelerated Continuous time quantum Monte Carlo method with Machine Learning
• Crystal field coefficients for yttrium analogues of rare-earth/transition-metal magnets using density-functional theory in the projector-augmented wave formalism
• Pressure-induced spin-state transition of iron in magnesiowüstite (Fe,Mg)O
• The first-principles research on the role of surface in the heavy fermion compound CeRh${}_2$Si${}_2$
• Kondo physics of the Anderson impurity model by Distributional Exact Diagonalization
• Variational Discrete Action Theory
• Electronic Correlations in Vanadium Revealed by Electron-Positron Annihilation Measurements
• Electronic correlations in the semiconducting half-Heusler compound FeVSb
• Studying the occupied and unoccupied electronic structure of LaCoO${}_3$ by using DFT+embedded DMFT method with the calculated value of $\text{U}$
• Electronic excitation spectra of the five-orbital Anderson impurity model: From the atomic limit to itinerant atomic magnetism
• DFT+DMFT study of exchange interactions in cobalt and their implications for the competition of hcp and fcc phases
• Site and orbital selective correlations in $\beta$-Pu
• Itinerant-localized crossover and orbital dependent correlations for 4$f$ electrons in cerium-based ternary 122 compounds
• Charge-Density-Wave Order in 2H-NbSe${}_2$
• Electronic correlation-driven orbital polarization transitions in the orbital-selective Mott compound Ba${}_2$CuO${}_{4-\delta }$
• Local Self-Energies for V and Pd Emergent from a Non-Local LDA+FLEX Implementation
• Hydrogenation driven formation of local magnetic moments in FeO${}_2$H${}_x$
• Mott metal-insulator transition from steady-state density functional theory
• Electronic correlations in dense iron: from moderate pressure to Earth's core conditions
• Electronic structure of Mott-insulator CaCu3Ti4O12: Photoemission and inverse photoemission study
• Landscape of coexisting excitonic states in the insulating single-layer cuprates and nickelates
• Electronic correlations, spectral and magnetic properties of ZrZn${}_2$
• Surface Polaron Formation in the Holstein model
• Quantum Confinement Induced Metal-Insulator Transition in Strongly Correlated Quantum Wells of SrVO${}_3$ Superlattice
• Extended Falicov-Kimball model: exact solution for the ground state
• Temperature dependence of correlated electronic states in archetypal kagome metal CoSn
• Orbital-dependent correlations in PuCoGa${}_5$
• Dynamical Mean Field Theory for Diatomic Molecules and the Exact Double Counting
• GFCCLib: Scalable and Efficient Coupled-Cluster Green's Function Library for Accurately Tackling Many Body Electronic Structure Problems
• Determining the Superconducting Transition Temperatures of Liquids
• Symmetry Breaking in Occupation Number Based Slave-Particle Methods
• Itinerant magnetism of chromium under pressure: a DFT+DMFT study
• Two-band Conduction and Nesting Instabilities in Superconducting Ba${}_2$CuO${}_{3+\delta }$: a First Principles Study
• Dimensional trend in CePt2In7, Ce-115 compounds, and CeIn3
• Dynamical response and competing orders in two-band Hubbard model
• The valence and spectral properties of rare-earth clusters
• Model Hamiltonian for strongly-correlated systems: Systematic, self-consistent, and unique construction
• Absence of Hybridization Gap in Heavy Electron Systems and Analysis of YbAl3 in terms of Nearly Free Electron Conduction Band
• Multi-channel fluctuating field approach to competing instabilities in interacting electronic systems
• Electronic correlations in organometallic complexes
• From cluster to solid - the variational cluster approximation applied to NiO
• Electronic structure of SrTi${}_{1-x}$V${}_x$O${}_3$ films studied by $insitu$ photoemission spectroscopy: Screening for a transparent electrode material
• Non-local correlation effects due to virtual spin-flip processes in itinerant electron ferromagnets
• A first principles investigation of cubic BaRuO${}_3$: A Hund's metal
• High frequency thermoelectric response in correlated electronic systems
• Interaction expansion inchworm Monte Carlo solver for lattice and impurity models
• Correlation driven near-flat band Stoner excitations in a Kagome magnet
• Quantum embedding for molecules using auxiliary particles -- The ghost Gutzwiller Ansatz
• Real-time Impurity Solver Using Grassmann Time-Evolving Matrix Product Operators
• Decomposing imaginary time Feynman diagrams using separable basis functions: Anderson impurity model strong coupling expansion
• Doubly screened Coulomb correction approach for strongly correlated systems
• Stochastic pole expansion method
• Linear response theories for interatomic exchange interactions
• Two dimensional quantum lattice models via mode optimized hybrid CPU-GPU density matrix renormalization group method
• Strong Correlation Effects of A-site Ordered Perovskite CaCu3Ti4O12 revealed by Angle-Resolved Photoemission Spectroscopy
• Frequency-dependent and algebraic bath states for a Dynamical Mean-Field Theory with compact support
• DFT, L(S)DA, LDA+U, LDA+DMFT..., whether we do approach to a proper description of optical response for strongly correlated systems?
• Prediction of anomalies in the velocity of sound for the pseudogap of hole-doped cuprates
• Variation of carrier density in semimetals via short-range correlation: A case study with nickelate NdNiO${}_2$
• Non-equilibrium itinerant-electron magnetism: a time-dependent mean-field theory
• Quantum Computation for Predicting Electron and Phonon Properties of Solids
• Correlated electronic structure with uncorrelated disorder
• Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
• The failure of DFT-based computations for a stepped-substrate-supported correlated Co wire
• Absence of halfmetallicity in defect-free Cr, Mn-delta-doped Digital Magnetic Heterostructures
• Realistic many-body approaches to materials with strong nonlocal correlations
• The electronic structures, magnetic transition and Fermi surface instability of room-temperature altermagnet KV${}_2$Se${}_2$O
• A Fast Impurity Solver Based on Gutzwiller variational approach
• Electron Removal Self Energy and its application to Ca2CuO2Cl2
• Phase transitions and spin-state of iron in FeO at the conditions of Earth's deep interior
• Breakdown of the Luttinger sum rule within the Mott-Hubbard insulator
• Dynamical mean field theory for manganites
• Electronic correlations and competing orders in multiorbital dimers: a cluster DMFT study
• Spontaneous fourfold-symmetry breaking driven by electron-lattice coupling and strong correlations in high-$T_c$ cuprates
• Fully {\it ab-initio} electronic structure of Ca${}_2$RuO${}_4$
• Exploring Coupled Cluster Green's function as a method for treating system and environment in Green's function embedding methods
• Doublon-holon excitations split by Hund's rule coupling within the orbital-selective Mott phase
• Combining Density Functional Theory and Green's Function Theory: Range-Separated, Non-local, Dynamic, and Orbital-Dependent Hybrid Functional
• Dynamical mean-field approach to disordered interacting systems and applications to quantum transport problem
• Thinking locally: reflections on Dynamical Mean-Field Theory from a high-temperature/high energy perspective
• A path to poor coherence in heavy fermions from Mott physics and hybridization
• Variational Monte Carlo Study of Anderson Localization in the Hubbard Model
• Quasi-particle bands and structural phase transition of iron from Gutzwiller Density-Functional Theory
• Effects of short-ranged interactions on the Kane-Mele model without discrete particle-hole symmetry
• Self-Consistent Determination of Single-Impurity Anderson Model Using Hybrid Quantum-Classical Approach on a Spin Quantum Simulator
• Quantum Eigenvector Continuation for Chemistry Applications
• First-principles study of the Kondo physics of a single Pu impurity in a Th host
• Improved Green's Function Measurement for Hybridization Expansion Quantum Monte Carlo
• Weak-coupling to strong-coupling quantum criticality crossover in a Kitaev quantum spin liquid $\alpha$-RuCl${}_3$
• Extremely correlated fermi liquid of $t$-$J$ model in two dimensions
• Quantum impurity models using superpositions of fermionic Gaussian states: Practical methods and applications
• Correlated Electronic Structures and the Phase Diagram of Hydrocarbon-based Superconductors
• Dynamical correlations in the electronic structure of BiFeO${}_3$, as revealed by dynamical mean field theory
• Electronic correlation effects and local magnetic moments in L1${}_0$ phase of FeNi
• Exchange-correlation potentials for multi-orbital quantum dots subject to generic density-density interactions and Hund's rule coupling
• Symmetric improved estimators for multipoint vertex functions
• $\text{Ab initio}$ derivation of effective Hamiltonian for La${}_2$CuO${}_4$/La${}_{1.55}$Sr${}_{0.45}$CuO${}_4$ heterostructure
• Reciprocal space study of Heisenberg exchange interactions in ferromagnetic metals
• A "hidden" transition in heavy fermion compound CeB${}_6$ at $T\sim$ 20 K?
• $\text{Ab initio}$ dynamical mean-field theory with natural orbitals renormalization group impurity solver: Formalism and applications
• Role of electric fields on enhanced electron correlation in surface-doped FeSe
• Transport and Spectra in the Half-filled Hubbard Model: A Dynamical Mean Field Study
• Superconductivity and Mottness in Organic Charge Transfer Materials
• Excitonic Coupled-cluster Theory
• Spin and orbital exchange interactions from Dynamical Mean Field Theory
• Ground state properties of one-dimensional and two-dimensional Hubbard model from Gutzwiller conjugate gradient minimization theory
• Material-based analysis of spin-orbital Mott insulators
• Multi-orbital simplified parquet equations for strongly correlated electrons
• Low rank Green's function representations applied to dynamical mean-field theory
• Quantum critical phase of FeO spans conditions of Earth's lower mantle
• Electronic structure and magnetic state of transuranium metals under pressure
• Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs
• Strength and scales of itinerant spin fluctuations in 3d paramagnetic metals
• Multipolar ordering from dynamical mean field theory with application to CeB6
• Interface and bulk superconductivity in superconducting heterostructures with enhanced critical temperatures
• Quantifying the U $5f$ covalence and degree of localization in U intermetallics
• Mott transitions in the Periodic Anderson Model
• Electronic correlations and long-range magnetic ordering in NiO tuned by pressure
• Doping-dependent bandwidth renormalization and spin-orbit coupling in (Sr${}_{1-x}$La${}_x$)${}_2$RhO${}_4$
• Unraveling the origin of Kondo-like behavior in the 3$d$-electron heavy-fermion compound YFe${}_2$Ge${}_2$
• Mott correlations in ABC graphene trilayer aligned with hBN
• Downfolding approaches to electron-ion coupling: Constrained density-functional perturbation theory for molecules
• Temperature-driven hidden 5f itinerant-localized crossover in heavy-fermion compound PuIn3
• Foundations of the Variational Discrete Action Theory
• Satellites in the Ti~1$s$ core level spectra of SrTiO${}_3$ and TiO${}_2$
• Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures
• Two-Particle-Self-Consistent Approach for the Hubbard Model
• LDA+DMFT Approach to Magnetocrystalline Anisotropy of Strong Magnets
• Entropy and electronic orders of the three-orbital Hubbard model with antiferromagnetic Hund coupling
• Finite-temperature phase diagram of (111) nickelate bilayers
• Multiple impurities and combined local density approximations in Site-Occupation Embedding Theory
• Statistical error estimates in dynamical mean-field theory and extensions thereof
• Asymmetry between the electron- and hole-doped Mott transition in the periodic Anderson model
• Dynamical correlation functions from complex time evolution
• Real-space dynamical mean-field theory of Friedel oscillations in strongly correlated electron systems
• Fifty years of Hubbard and Anderson lattice models: from magnetism to unconventional superconductivity - A brief overview
• The Insulating Nature of Na2IrO3: Mott-type or Slater-type?
• Shear viscosity of strongly interacting fermionic quantum fluids
• Momentum space anisotropy of electronic correlations in Fe and Ni - an analysis of magnetic Compton profiles
• Systematically Improvable Excitonic Hamiltonians for Electronic Structure Theory
• Thermoelectric power as a probe of density of states in correlated actinide materials: the case of PuCoGa${}_5$ superconductor
• Non-local Correlation Effects in Fermionic Many-Body Systems: Overcoming the Non-causality Problem
• Thermopower of the Correlated Narrow Gap Semiconductor FeSi and Comparison to RuSi
• Revisit of Antiferromagnetism in Hubbard Model by A Cluster Slave-Spin Method
• Nano-engineering of electron correlation in oxide superlattices
• Valence skipping, internal doping and site-selective Mott transition in PbCoO${}_3$ under pressure
• Auxiliary master equation approach within stochastic wave functions: Application to the Interacting Resonant Level Model
• DFT+DMFT study of dopant effect in a heavy fermion compound CeCoIn5
• Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
• Correlation effects in the electronic structure of the Ni-based superconducting KNi2S2
• Realistic estimates of superconducting properties for the cuprates: reciprocal-space diagrammatic expansion combined with variational approach
• Gating-Induced Mott Transition in NiS${}_2$
• When is the Kadowaki-Woods ratio universal?
• Magnetism between magnetic adatoms on monolayer NbSe${}_2$
• Metallic nature and site-selective magnetic collapse in iron oxide Fe4O5 at the extreme conditions of Earth's deep interior
• Low-energy perspective on two-orbital Hund metals and the case of LaNiO2
• Zero temperature dynamics of the Hubbard model in infinite dimensions: A local moment approach
• Semi-group influence matrices for non-equilibrium quantum impurity models
• Electronic Structure Calculations with LDA+DMFT
• Atomic multiplet and charge-transfer screening effects in 1$s$ and 2$p$ core-level X-ray photoelectron spectra of early 3$d$ transition-metal oxides
• Singularity in self-energy and composite fermion excitations of interacting electrons
• Ab initio prediction of magnetically dead layers in freestanding $\gamma$-Ce(111)
• Exact Solution for the Transverse Field Sherrington-Kirkpatrick Spin Glass Model with Continuous-Time Quantum Monte Carlo Method
• Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
• Doping the Mott insulating state of the triangular-lattice Hubbard model reveals the Sordi transition
• Fermi surface topology and de Hass-van Alphen orbits in PuIn${}_3$ and PuSn${}_3$ compounds
• The Electronic Correlation Strength of Pu
• Convexity of the self-energy functional in the variational cluster approximation
• Ferromagnetic response of a "high-temperature" quantum antiferromagnet
• Theory of charged impurities in correlated electron materials: Application to muon spectroscopy of high-Tc superconductors
• Transition of a prestine Mott insulator to a correlated Fermi liquid: Pressure-dependent optical investigations of a quantum spin liquid
• Electronic Correlation Effects on Stabilizing a Perfect Kagome Lattice and Ferromagnetic Fluctuation in LaRu${}_3$Si${}_2$
• On the Adequacy of the Dynamical Mean Field Theory for Low Density and Dirac Materials
• Thermopower of the electron-doped manganese pnictide LaMnAsO
• Lattice dynamics of palladium in the presence of electronic correlations
• Theoretical study of magnetic domain walls through a cobalt nanocontact
• Fermi-Liquid $T^2$ Resistivity: Dynamical Mean-Field Theory Meets Experiment
• Quasiparticle multiplets and 5f electronic correlation in prototypical plutonium borides
• Electronic correlations of element cerium under high pressure
• An optical investigation of the heavy fermion normal state in superconducting UTe${}_2$
• Nonperturbative self-consistent electron-phonon spectral functions and transport
• Renormalization of the Mott gap by lattice entropy: The case of 1T-TaS2
• The LDA+DMFT route to identify good thermoelectrics
• Anderson impurity solver integrating tensor network methods with quantum computing
• Electronic correlations in vanadium chalcogenides: BaVSe3 versus BaVS3
• Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
• Rare-earth impurities in Co${}_2$MnSi: an opportunity to improve Half-Metallicity at finite temperatures
• Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF${}_3$
• Magnetic Compton profiles of disordered Fe${}_{0.5}$Ni${}_{0.5}$ and ordered FeNi alloys
• Laser-induced ultrafast insulator-metal transition in ${\text{BaBiO}}_3$
• Extended Hubbard model with renormalized Wannier wave functions in the correlated state II: Quantum critical scaling of the wave function near the Mott-Hubbard transition
• Static corrections versus dynamic correlation effects in the valence band Compton profile spectra of Ni
• Effects of paramagnetic fluctuations on the thermochemistry of MnO (100) surfaces in the oxygen evolution reaction
• Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory
• An electric-field driven Mott metal-insulator transition in correlated thin films: an inhomogeneous dynamical mean-field theory approach
• The Hubbard model in the strong coupling theory at arbitrary filling
• Electronic correlations effect on nontrivial topological fermions in CoSi
• Schwinger boson approach for the dynamical mean-field theory of the Kondo lattice
• Coupled Lindblad pseudomode theory for simulating open quantum systems
• Multipolar interactions and magnetic excitation gap in d${}^3$ spin-orbit Mott insulators
• Boson Slave Solver (BoSS) v1.1
• Superconducting transition temperatures of pure vanadium and vanadium-titanium alloys in the presence of dynamical electronic correlations
• Direct observation of fragile Mott insulators on plaquette Hubbard lattices
• Site-selective magnetic moment collapse in compressed Fe5O6
• Precise ground state of multi-orbital Mott systems via the variational discrete action theory
• Maximum entropy analytic continuation of anomalous self-energies
• Charge and spin correlations in insulating and incoherent metal states of twisted bilayer graphene
• The Thermodynamic Limit of Spin Systems on Random Graphs
• The Hubbard model on the Bethe lattice via variational uniform tree states: metal-insulator transition and a Fermi liquid
• The Continuous-Pole-Expansion method to obtain spectra of electronic lattice models
• Advanced multi-orbital impurity solver for dynamical mean field theory based on the equation of motion approach
• Mott and Wigner-Mott transitions in doped correlated electron systems: effects of superlattice potential and inter-site correlation
• Novel $J_{\mathrm{eff}}$=3/2 Metallic Phase and Unconventional Superconductivity in GaTa${}_4$Se${}_8$
• Dynamical mean-field theory for Rényi entanglement entropy and mutual Information in Hubbard Model
• Probing hidden Mott gap and incommensurate charge modulation on the polar surfaces of PdCrO${}_2$
• Collapse of quasiparticle multiplets and $5f$ itinerant-localized crossovers in cubic phase Pu${}_3$Ga
• Transmission Engineering as a route to Subthermal Switching
• Tunable electronic and magnetic phases in layered ruthenates: SrRuO3-SrTiO3 heterostructure upon strain
• Superconductivity in the two-dimensional Hubbard model with cellular dynamical mean-field theory: a quantum impurity model analysis
• Ideal strengths and bonding properties of PuO2 under tension
• Local Exchange-Correlation Potentials by Density Inversion in Solids
• What can lattice DFT teach us about real-space DFT?
• One- and two-particle correlation functions in the cluster perturbation theory for cuprates
• Signature of Kondo breakdown quantum criticality in optical conductivity
• First-Principles Theory of Momentum Dependent Local Ansatz Approach to Correlated Electron System
• One-step theory of two-photon photoemission
• Ferromagnetism of LaCoO${}_3$ films
• Global perspectives of the bulk electronic structure of URu${}_2$Si${}_2$ from angle-resolved photoemission
• Single impurity Anderson model out of equilibrium: A two-particle semi-analytic approach
• Manifestation of incoherent-coherent crossover and non-Stoner magnetism in the electronic structure of Fe${}_3$GeTe${}_2$
• Investigating the effect of temperature dependent many-body interactions on bulk electronic structures and the robust nature of (001) surface states of SnTe
• Scaling Between Periodic Anderson and Kondo Lattice Models
• Understanding the temperature and pressure dependent electronic properties of FeSi: DFT+DMFT study
• Dual formulation of the maximum entropy method applied to analytic continuation of quantum Monte Carlo data
• Impact of electronic correlations on the superconductivity of high-pressure CeH${}_9$
• Strong spin dependence of correlation effects in Ni due to Stoner excitations
• TRIQS/Nevanlinna: Implementation of the Nevanlinna Analytic Continuation method for noise-free data
• On Green's function embedding using sum-over-pole representations
• Entanglement entropy and computational complexity of the Anderson impurity model out of equilibrium II: driven dynamics
• Charge conserving approximation for excitation properties of crystalline materials
• Modified $GW$ Method in Electronic Systems
• Fermi-Surface Modeling of Light-Rare-Earth Hexaborides with 2D-ACAR Spectroscopy
• Ab-initio study of the Coulomb interaction in NbxCo clusters: Strong on-site versus weak non-local screening
• Ab initio calculation of Spin-Polarized Low-Energy Electron Diffraction Pattern for the systems Fe(001) and Fe(001)-p(1x1)-O
• An emerging global picture of heavy fermion physics
• Optimal Boson energy for superconductivity in the Holstein model
• Physics behind the minimum of relative entropy measures for correlations
• Revealing the hidden order in BaTi2As2O via nuclear magnetic resonance
• Frozen spin ratio and the detection of Hund correlations
• Herzfeld instability versus Mott transition in metal-ammonia solutions
• Discrete Lehmann representation of three-point functions
• Gutzwiller Renormalization Group
• Co(CO)n/Cu(001): Towards understanding chemical control of the Kondo effect
• Weakness of Correlation Effect Manifestation in BaNi${}_2$As${}_2$: ARPES and LDA+DMFT study
• Energy-scale cascade and correspondence between Mott and Kondo lattice physics
• A slave boson description of pseudogap metals in t-J models
• Hybridization effect on the X-ray absorption spectra for actinide materials: Application to PuB${}_4$
• Wannier-function-based constrained DFT with nonorthogonality-correcting Pulay forces in application to the reorganization effects in graphene-adsorbed pentacene
• Electron correlation effects in the exchange coupling at the Fe/CoO/Ag(001) ferro-/antiferro-magnetic interface
• Magnetic Compton profiles of Ni beyond the one-particle picture: numerically exact and perturbative solvers of dynamical mean-field theory
• First-Principles Momentum Dependent Local Ansatz Approach to the Momentum Distribution Function in Iron-Group Transition Metals
• Effects of valence, geometry and electronic correlations on transport in transition metal benzene sandwich molecules
• First-Principles Momentum-Dependent Local Ansatz Wavefunction and Momentum Distribution Function Bands of Iron
• Triple excitations in Green's function coupled cluster solver for studies of strongly correlated systems in the framework of self-energy embedding theory
• Multi-body wave function of ground and low-lying excited states using unornamented deep neural networks
• Role of electron correlation and disorder on the electronic structure of layered nickelate (La${}_{0.5}$Sr${}_{0.5}$)${}_2$NiO${}_4$
• Reliability of the one-crossing approximation in describing the Mott transition
• Microscopic theory on charge transports of a correlated multiorbital system
• Systematic tight-binding analysis of ARPES spectra of transition-metal oxides
• Adaptive variational quantum computing approaches for Green's functions and nonlinear susceptibilities
• A comparative DMFT study of the eg-orbital Hubbard model in thin films
• Mesoscopic features in the transport properties of a Kondo-correlated quantum dot in a magnetic field
• Barycentric rational function approximation made simple: A fast analytic continuation method for Matsubara Green's functions
• Semiclassical approximation solved by Monte Carlo as an efficient impurity solver for dynamical mean field theory and its cluster extensions
• Comparative analysis of methods for calculating Hubbard parameters using cRPA
• Next-generation EDIpack: A Lanczos-based package for quantum impurity models featuring general broken-symmetry phases, flexible bath topologies and multi-platform interoperability
• Charge distribution and magnetism in bilayer La${}_3$Ni${}_2$O${}_7$: a hybrid functional study
• UTe${}_2$: a narrow band superconductor
• Charge self-consistent density functional theory plus ghost rotationally-invariant slave-boson theory for correlated materials
• Tightly-bound and room-temperature-stable excitons in van der Waals degenerate-semiconductor Bi4O4SeCl2 with high charge-carrier density
• Pressure-induced concomitant topological and metal-insulator quantum phase transitions in Ce${}_3$Pd${}_3$Bi${}_4$
• Photoinduced prethermalization phenomena in correlated metals
• Electronic structure and magnetism of the Hund insulator CrI3
• Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer
• First principles studies of the electronic and structural properties of the rutile VO${}_2$(110) surface and its oxygen-rich terminations
• Multiple Quantum Phase Transitions of Plutonium compounds
• DFT+DMFT with natural atomic orbital projectors
• Kohn anomalies in momentum dependence of magnetic susceptibility of some three-dimensional systems
• Electrical permittivity driven metal-insulator transition in heterostructures of nonpolar Mott- and band insulators
• Enhancement of the thermal expansion of organic charge transfer salts by strong electronic correlations
• Numerical operator method for the real time dynamics of strongly-correlated quantum impurity systems far from equilibrium
• Self-consistent spin-fluctuation spectrum and correlated electronic structure of actinides
• Wannier interpolation of one-particle Green's functions from coupled-cluster singles and doubles (CCSD)
• SOLAX: A Python solver for fermionic quantum systems with neural network support
• Cluster Dynamical Mean-Field Methods for d-wave Superconductors: the Role of Geometry
• Influence of oxygen on electronic correlation and transport in iron in the outer Earth's core
• Fast multi-orbital equation of motion impurity solver for dynamical mean field theory
• Field effect on surface states in a doped Mott-Insulator thin film
• Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO${}_3$ and PbNiO${}_3$ revealed by hard x-ray photoemission spectroscopy
• Extending the Gutzwiller approximation to intersite interactions
• c-axis pressure induced antiferromagnetic order in optimally P-doped BaFe2(As0.70P0.30)2 superconductor
• Dualism of the 4f electrons and high-temperature antiferromagnetism of the heavy-fermion compound YbCoC${}_2$
• Explicit inclusion of electronic correlation effects in molecular dynamics
• Electron-magnon dynamics triggered by an ultrashort laser pulse: A real-time Dual $GW$ study
• Local bottom-up effective theory of non-local electronic interactions
• A hybrid-exchange density-functional theory study of the electronic structure of ${\mathrm{MnV}}_2{\mathrm{O}}_4$: Exotic orbital ordering in the cubic structure
• Extending Quantum Computing through Subspace, Embedding and Classical Molecular Dynamics Techniques
• Low-temperature transport in high-conductivity correlated metals: a density-functional plus dynamical mean-field study of cubic perovskites
• Spectral properties of heterostructures containing half-metallic ferromagnets in the presence of local many-body correlations
• Hidden spin-orbital hexagonal ordering induced by strong correlations in LiVS${}_2$
• Dynamic Hubbard model for solids with hydrogen-like atoms
• The Future of the Correlated Electron Problem
• First-Principles Momentum Dependent Local Ansatz Approach to the Ground-State Properties of Iron-Group Transition Metals
• Kinks: Fingerprints of strong electronic correlations
• Kernel polynomial representation of imaginary-time Green's functions
• MatsubaraFunctions.jl: An equilibrium Green's function library in the Julia programming language
• Site-occupation--Green's function embedding theory: A density-functional approach to dynamical impurity solvers
• Unraveling exotic 5$f$ states and paramagnetic phase of PuSn${}_3$
• Electronic structure study of vanadium spinels by using density functional theory and dynamical mean field theory
• Minimally Entangled Typical Thermal States Algorithms for Finite Temperature Matsubara Green Functions
• A materials informatics approach to the identification of one-band correlated materials analogous to the cuprates
• Pressure induced electronic transitions in Samarium monochalcogenides
• Covariant Bethe-Salpeter approximation in strongly correlated electron systems model
• CT-X: an efficient continuous-time quantum Monte Carlo impurity solver in Kondo Regime
• One-step approach to ARPES from strongly correlated solids: a Mott-Hubbard system
• Combining semi-local exchange with dynamical mean-field theory: electronic structure and optical response of rare-earth sesquioxides
• Selfconsistent hybridization expansions for static properties of the Anderson impurity model
• Quantum Computing in Pharma: A Multilayer Embedding Approach for Near Future Applications
• Transport in quantum spin Hall edges in contact to a quantum dot
• Towards A Possible Charge-Kondo effect in Optical Lattices
• Electronic interaction $U_{pp}$ on oxygen $p$ orbitals in oxides: Role of correlated orbitals on the example of UO${}_2$ and TiO${}_2$
• Hybrid cluster-expansion and density-functional-theory approach for optical absorption in TiO2
• Recent Progress of Point Contact Spectroscopy as a Probe of Correlated Electron States
• Effect of Off-Diagonal Elements in Wannier Hamiltonian on DFT+DMFT for low-symmetry material: Study of Li${}_2$MnO${}_3$
• Magnetism trends in doped Ce-Cu intermetallics in the vicinity of quantum criticality: realistic Kondo lattice models based on dynamical mean-field theory
• Electronic spectrum and superconductivity in the extended t-J-V model
• Breakdown of the Hund's Rule in CuFeAs
• The competition between antiferromagnetism and superconductivity in a doped Hubbard model with anisotropic interaction
• Reformulation of DFT+U as a pseudo-hybrid Hubbard density functional
• Denoising of Imaginary Time Response Functions with Hankel projections
• Quantum criticality and formation of a singular Fermi liquid in the attractive SU(N > 2) Anderson model
• Self-energy self-consistent density functional theory plus dynamical mean field theory
• Dimensional reduction of the Luttinger-Ward functional for spin-degenerate $D$-dimensional electron gases
• Ambipolar doping of a charge-transfer insulator in the Emery model
• Electron correlation effects in paramagnetic cobalt
• Instability of Pa$\overline{3}$ Cs${}_3$C${}_{60}$ at ambient pressure and superconducting state of the FCC phase
• Heating and cooling in self-consistent many-body simulations
• Mott insulating phases and magnetism of fermions in a double-well optical lattice
• A topological Hund nodal line antiferromagnet
• Stretching bonds in Density Functional Theory without artificial symmetry breaking
• Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models
• Impact of strong electronic correlations on altermagnets: the case of NiS2
• Unveiling Mysteries of GdRu${}_2$Si${}_2$: 3D Magnetism in a layered like Magnet
• Influence of anti-ferromagnetic ordering and electron correlation on the electronic structure of MnTiO${}_3$
• Determining the range of magnetic interactions from the relations between magnon eigenvalues at high-symmetry k points
• Off-shell effective energy theory: a unified treatment of the Hubbard model from d=1 to d=$\infty$
• Calculated Unconventional Superconductivity via Charge Fluctuations in Kagome Metal CsV3Sb5
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Strontium Ferrite Under Pressure: Potential Analogue to Strontium Ruthenate
• A comprehensive study of out-of-equilibrium Kondo effect and Coulomb blockade
• Calculated Spin Fluctuational Pairing Interaction in HgBa2CuO4 using LDA+FLEX Method
• Static treatment of dynamic interactions in the single-orbital Anderson impurity model
• From localized 4f electrons to anisotropic exchange interactions in ferromagnetic CeRh6Ge4
• Impact of disorder and phonons on the Hubbard bands of Mott insulators in strong electric fields
• Tensor cross interpolation approach for quantum impurity problems based on the weak-coupling expansion
• Cluster Entanglement Mean Field inspired approach to Criticality in Classical Systems
• Fermi Surface Bosonization for Non-Fermi Liquids
• Oxide Heterostructures from a Realistic Many-Body Perspective
• Broken symmetry solutions in one-dimensional lattice models via many-body perturbation theory
• All electron GW with linearized augmented plane waves for metals and semiconductors
• $L$-hole Pockets of the Palladium Fermi Surface Revealed by Positron Annihilation Spectroscopy
• Exploring strong electronic correlations in the breathing kagome metal Fe${}_3$Sn
• From strong to weak correlations in breathing-mode kagome van der Waals materials: Nb${}_3$(F,Cl,Br,I)${}_8$ as a robust and versatile platform for many-body engineering
• Revisiting magnetic exchange interactions in transition metal doped Bi${}_2$Se${}_3$ using DFT+MFT
• Active Learning approach to simulations of Strongly Correlated Matter with the Ghost Gutzwiller Approximation
• Loop-current order through the kagome looking glass
• Real-Space Switching of Local Moments Driven by Quantum Geometry in Correlated Graphene Heterostructures
• Charge gap and charge redistribution among copper and oxygen orbitals in the normal state of the Emery model
• Theory of anisotropic elastoresistivity of two-dimensional extremely strongly correlated metals
• Mott Transition and Volume Law Entanglement with Neural Quantum States
• Beyond-quasiparticle transport with vertex correction: self-consistent ladder formalism for electron-phonon interactions
• Accelerating ground-state auxiliary-field quantum Monte Carlo simulations by delayed update and block force-bias update
• Electronic structures and magnetism in van der Waals flat-band material Ni${}_3$GeTe${}_2$
• Hubbard Physics in the PAW GW Approximation
• Band structure picture for topology in strongly correlated systems with the ghost Gutzwiller ansatz
• Correlated electronic structure of high-temperature superconductor Ba${}_2$CuO${}_{3+\delta }$
• Bath parameterization in multi-band cluster Dynamical Mean-Field Theory
• Splitting of electronic spectrum in paramagnetic phase of itinerant ferromagnets and altermagnets
• Constrained Random Phase Approximation: the spectral method
• Physically interpretable approximations of many-body spectral functions
• Correspondence between quasiparticle dissipation and quantum information decay in open quantum systems
• Self-energy enhancements in doped Mott insulators
• Hidden covalent insulator and spin excitations in SrRu${}_2$O${}_6$
• Evidence of electron correlation and weak bulk plasmon in SrMoO${}_3$
• Exploring temperature dependent electron-electron interaction of topological crystalline insulators (SnS and SnSe) within Matsubara-time domain
• Kinetics of thermal Mott transitions in the Hubbard model
• Superperturbation theory on the real-axis
• Pressure-induced transitions in FePS${}_3$: Structural, magnetic and electronic properties
• Multiplet Effects in the Electronic Correlation of One-Dimensional Magnetic Transition-Metal Oxides on Metals
• Quantitative comparison of LDA+DMFT and ARPES spectral functions
• Quantitative Determination of the Critical Points of Mott Metal-Insulator Transition in Strongly Correlated Systems
• Sparsity pattern of the self-energy for classical and quantum impurity problems
• On the origin of the quasi-particle peak in Cr(001) surfaces
• Novel approaches to spectral properties of correlated electron materials: From generalized Kohn-Sham theory to screened exchange dynamical mean field theory
• Orbital isotropy of magnetic fluctuations in correlated electron materials induced by Hund's exchange coupling
• Anisotropic hybridization in a new Kondo lattice compound CeCoInGa${}_3$
• Reexaming the ground state and magnetic properties of curium dioxide
• Many-body effects on the resistivity of a multiorbital system beyond Landau's Fermi-liquid theory
• Simple Fermionic backflow states via a systematically improvable tensor decomposition
• Efficiency of the hidden fermion determinant states Ansatz in the light of different complexity measures
• Calculations of Spin Fluctuation Spectral Functions ${\alpha }^{2}F$ in High-Temperature Superconducting Cuprates
• Approximating dynamical correlation functions with constant depth quantum circuits
• A dynamical mean-field study of orbital-selective Mott phase enhanced by next-nearest neighbor hopping
• Disorder Enhanced Thermalization in Interacting Many-Particle System
• Exchange interactions in itinerant magnets: the effects of local particle-hole irreducible vertex corrections and SU(2) symmetry of Hund interaction
• Electronic structure of CeIr3 superconductor: DMFT studies
• Kondo frustration via charge fluctuations: a route to Mott localisation
• Stability and diffusion of oxygen vacancies in LaNiO${}_3$: a DMFT study
• Correcting and extending Trotterized quantum many-body dynamics
• Ghost Embedding Bridging Chemistry and One-Body Theories
• Kondo spectral functions at low-temperatures: A dynamical-exchange-correlation-field perspective
• Electronic spin-triplet nematic with a twist
• Applicability of DFT + U to U metal and U-Zr alloy
• Cluster dynamical mean field study of intra-unit-cell charge nematicity in hole-doped cuprates
• Extended Falicov-Kimball model at weak onsite and intersite Coulomb interactions
• Coulomb correlations and magnetic properties of L1${}_0$ FeCo: a DFT+DMFT study
• Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systems
• Power-Law Spectra and Asymptotic $\omega /T$ Scaling in the Orbital-Selective Mott Phase of a Three-Orbital Hubbard Model
• Natural orbital impurity solver for real-frequency properties at finite temperature
• Computing quantum phase transitions
• Dual-space cluster-diagrammatic approach to nonlocal electronic correlations
• Oxygen hole content, charge-transfer gap, covalency, and cuprate superconductivity
• Temperature dependence of the electronic structure of A-site ordered perovskite CaCu${}_3$Ti${}_4$O${}_{12}$: Angle-integrated and -resolved photoemission studies
• Scalable tensor network algorithm for quantum impurity problems
• Strong Electron-Phonon Interaction and Colossal Magnetoresistance in EuTiO${}_3$
• Quantitative theory of magnetic properties of elemental praseodymium
• Machine-learning semi-local density functional theory for many-body lattice models at zero and finite temperature
• Dynamic inhomogeneities and phase separation after quantum quenches in strongly correlated systems
• Iterated Perturbation Theory for Mott Insulators in a Static Electric Field with Optical Phonons
• Computing local multipoint correlators using the numerical renormalization group
• Localized fermions on the triangular lattice with Ising-like interactions
• Weak electronic correlations in the cobalt oxychalcogenide superconductor Na2CoSe2O
• Gor'kov-Hedin-Baym Equations for Quantum Many-Body Systems with Spin-Dependent Interactions
• Frustrated magnets in the limit of infinite dimensions: dynamics and disorder-free glass transition
• Density-Matrix Mean-Field Theory
• Characterizing Featureless Mott Insulating State by Quasiparticle Interferences - A Dynamical Mean Field Theory Prospect
• Inchworm tensor train hybridization expansion quantum impurity solver
• Electronic structure of semiconductor nanoparticles from stochastic evaluation of imaginary-time path integral
• Fractionalized Kohn-Sham Scheme for Strongly Correlated Electrons
• A method to derive material-specific spin-bath model descriptions of materials displaying prevalent spin physics
• Finite Temperature Minimal Entangled Typical Thermal States Impurity Solver
• Protracted Kondo coherence with dilute carrier density in Cerium based nickel pnictides
• Navigating the trends in the proximity to magnetic quantum critical point and superconductivity for Ce-based heavy-fermion compounds
• Enhanced Anomalous Nernst Effect in the Ferromagnetic Kondo Lattice CeCo2As2
• UCd${}_{11}$: A strongly localized 5$f^3$ material
• Novel correlated 5f electronic states in cubic AnSn3 (An=U, Np, Pu) intermetallics
• A first-principles study of bcc chromium beyond the generalized gradient approximation (GGA)
• Bandgaps of insulators from moment-functional based spectral density-functional theory
• Suppression of the Mott insulating phase in the particle-hole asymmetric Hubbard model
• Slope-Reversed Mott Transition in Multiorbital Systems
• Raman Response of the Charge Density Wave in Cuprate Superconductors
• General linear correction method for DFT+X energy: application to U-M (M=Al, Ga, In) alloys under high pressure
• Moment-functional based spectral density-functional theory
• Orbital liquid in the $e_g$ orbital Hubbard model in $d=\infty$ dimensions
• Giant orbital magnetoresistance in the antiferromagnet CoO driven by dynamic orbital angular momentum interaction
• Reentrance of metal-insulator transition and magnetic competitions on a triangular lattice with second nearest-neighbor hopping
• Bridging constrained random-phase approximation and linear response theory for computing Hubbard parameters
• Localized-itinerant dichotomy and unconventional magnetism in SrRu${}_2$O${}_6$
• Efficient slave-boson approach for multiorbital two-particle response functions and superconductivity
• Relevance of long-range screening in Mott transition examined via a hydrogen lattice
• Flat Topological Nodal Lines in Heavy-Fermion Compound CeCoGe${}_3$
• Magnetoresistivity in the Antiferromagnetic Hubbard Model
• Quantitative determination of the orbital-selective Mott transition and quantum entanglement in the orbital-selective Mott phase
• Many-body electronic structure, self-doped double-exchange, and Hund metallicity in 1T-CrTe2 bulk and monolayer
• Effect of random antiferromagnetic exchange on the spin waves in a three-dimensional Heisenberg ferromagnet
• Valency, charge-transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
• Artificial versus Natural Atoms: The uncanny capability of the many-body Schrödinger equation to produce emergent behavior
• Complex analysis of divergent perturbation theory at finite temperature
• All-electron Quasiparticle Self-consistent GW for Molecules and Periodic Systems within the Numerical Atomic Orbital Framework
• Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks
• Correlation-driven origin of shallow electron pocket in Co${}_{1/3}$TaS${}_2$ revealed by ARPES and cluster perturbation theory
• Quantum solver for single-impurity Anderson models with particle-hole symmetry
• Multiple localized-itinerant dualities in magnetism of 5f electron systems. The case of UPt${}_2$Si${}_2$
• Self-Consistent Coulomb Interactions from Constrained Dynamical Mean-Field Theory
• Strong parameter renormalization from optimum lattice model orbitals
• Evolution of the Andreev bands in the half-filled superconducting periodic Anderson model
• Tree tensor network impurity solver based on Cayley-tree mapping
• Correlated 5f electronic states and phase stability in americium under high pressure: Insights from DFT+DMFT calculations
• Multi-orbital dynamical mean-field theory with a complex-time solver
• Automated evaluation of imaginary time strong coupling diagrams by sum-of-exponentials hybridization fitting
• Linear Foundation Model for Quantum Embedding: Data-Driven Compression of the Ghost Gutzwiller Variational Space
• Microscopic investigation of enhanced Pauli paramagnetism in metallic Pu${}_2$C${}_3$
• Dynamics of superconducting pairs in the two-dimensional Hubbard model
• Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates
• Eliminating Orbital Selectivity from the Metal-Insulator Transition by Strong Magnetic Fluctuations
• Multi-band D-TRILEX approach to materials with strong electronic correlations
• Formation of CuO${}_2$ sublattices by suppression of interlattice correlations in tetragonal CuO
• Algorithm for computing perturbation series of dynamical mean field theory
• Effect of doping on the electronic structure, orbital-dependent renormalizations, and magnetic correlations in bilayer La${}_3$Ni${}_2$O${}_7$
• Multipolar fluctuations from localized 4f electrons in CeRh2As2
• 5d-mediated indirect exchange and effective spin Hamiltonians in Ce triangular-lattice delafossites
• Strong-coupling formula for momentum-dependent susceptibilities in dynamical mean-field theory
• Engineering correlated Dirac fermions and flat bands on SiC with transition-metal adatom lattices
• Theory of parametric x-ray optical wavemixing processes
• Proton fraction in neutron star matter: Dynamical mean-field approach
• Origin of dimensional crossover in quasi-one-dimensional hollandite K${}_2$Ru${}_8$O${}_{16}$
• RTGW2020: A powerful implementation of DFT + Gutzwiller method
• Machine Learning Green's Functions of Strongly Correlated Hubbard Models
• Strain Engineering of van Hove Singularity and Coupled Itinerant Ferromagnetism in Quasi-2D Oxide Superlattices
• Dynamics of magnetic collective modes in the square and triangular lattice Mott insulators at finite temperature
• The Frenkel line and the pseudogap: an analogy between classical and electronic fluids
• Strong local moment antiferromagnetic spin fluctuations in V-doped LiFeAs
• Variational Diagrammatic Monte-Carlo Built on Dynamical Mean-Field Theory
• Metal-insulator transition in CaCu${}_3$Fe${}_4$O${}_{12}$
• Lies My Teacher Told Me About Density Functional Theory: Seeing Through Them with the Hubbard Dimer
• Surfaces and interfaces of infinite-layer nickelates studied by dynamical mean-field theory
• Layer controlled orbital selective Mott transition in monolayer nickelate
• Thermoelectrics Near the Mott Localization-Delocalization Transition
• Particle-hole Symmetric Slave Boson Method for the Mixed Valence Problem
• Interplay of electronic correlations and chemical bonding in FeN${}_2$ under pressure
• Antiferromagnetic magnons and local anisotropy: dynamical mean-field study
• Spin-polarization and resonant states in electronic conduction through a correlated magnetic layer
• Evolution of Correlated Electrons in $\mathrm{L}{\mathrm{a}}_3\mathrm{N}{\mathrm{i}}_2{\mathrm{O}}_7$ at Ambient Pressure: a Study of Double-Counting Effect