Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory

Abstract

In electronic systems with long-range Coulomb interaction, the nonlocal Fock exchange term has a band-widening effect. While this effect is included in combined many-body perturbation theory and dynamical mean field theory schemes, it is not taken into account in standard extended DMFT (EDMFT) calculations. Here, we include this instantaneous term in both approaches and investigate its effect on the phase diagram and dynamically screened interaction. We show that the largest deviations between previously presented EDMFT and $GW$+EDMFT results originate from the nonlocal Fock term, and that the quantitative differences are especially large in the strong-coupling limit. Furthermore, we show that the charge-ordering phase diagram obtained in $GW$+EDMFT methods for moderate interaction values is very similar to the one predicted by dual boson methods that include the fermion-boson or four-point vertex.

11 pages, 10 figures

References in corpus (15)

• Dynamical vertex approximation - a step beyond dynamical mean field theory
• Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory
• Beyond extended dynamical mean-field theory: Dual boson approach to the two-dimensional extended Hubbard model
• Combined GW and dynamical mean field theory: Dynamical screening effects in transition metal oxides
• Dynamical vertex approximation in its parquet implementation: application to Hubbard nano-rings
• Spectral Properties of Correlated Materials: Local Vertex and Non-Local Two-Particle Correlations from Combined GW and Dynamical Mean Field Theory
• Ab initio dynamical vertex approximation
• Extended dynamical mean-field study of the Hubbard model with long range interactions
• Collective Charge Excitations of Strongly Correlated Electrons, Vertex Corrections and Gauge Invariance
• Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2
• Dynamical Screening Effects in Correlated Electron Materials -- A Progress Report on Combined Many-Body Perturbation and Dynamical Mean Field Theory: "GW+DMFT"
• Nonequilibrium GW+EDMFT: Antiscreening and inverted populations from nonlocal correlations
• On the separability of dynamical and non-local correlations in three dimensions
• Screened exchange dynamical mean field theory and its relation to density functional theory: SrVO3 and SrTiO3
• Charge orderings in the atomic limit of the extended Hubbard model

Cited by in corpus (45)

• Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
• Multitier self-consistent $GW$+EDMFT
• Self-energy embedding theory (SEET) for periodic systems
• Consistent partial bosonization of the extended Hubbard model
• The Fierz convergence criterion: a controlled approach to strongly-interacting systems with small embedded clusters
• Ab-Initio self-energy embedding for the photoemission spectra of NiO and MnO
• Impact of partially bosonized collective fluctuations on electronic degrees of freedom
• Multi-band non-equilibrium GW+EDMFT formalism for correlated insulators
• Charge order and antiferromagnetism in the extended Hubbard model
• Dual Boson Diagrammatic Monte Carlo Approach Applied to the Extended Hubbard Model
• Mott versus hybridization gap in the low-temperature phase of $1T$-TaS${}_2$
• TRILEX and $GW$+EDMFT approach to $d$-wave superconductivity in the Hubbard model
• Renormalization of effective interactions in a negative charge-transfer insulator
• Dynamics of photo-doped charge transfer insulators
• Charge ordering and non-local correlations in the doped extended Hubbard model
• Effective Ising model for correlated systems with charge ordering
• First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction
• Exact diagonalization solver for the extended dynamical mean-field theory
• Dual fermion method as a prototype of generic reference-system approach for correlated fermions
• Collective magnetic fluctuations in Hubbard plaquettes captured by fluctuating local field method
• Local and nonlocal electronic correlations at the metal-insulator transition in the Hubbard model in two dimensions
• Non-local Coulomb correlations in pure and electron-doped ${\mathrm{Sr}}_2{\mathrm{IrO}}_4$: spectral functions, Fermi surface and pseudogap-like spectral weight distributions from oriented cluster dynamical mean field theory
• Bandwidth renormalization due to the intersite Coulomb interaction
• Photoinduced renormalization of Dirac states in BaNiS${}_2$
• Thermodynamics of the metal-insulator transition in the extended Hubbard model
• Thermodynamics of the metal-insulator transition in the extended Hubbard model from determinantal quantum Monte Carlo
• The extended Hubbard model with attractive interactions
• Exploring the role of nonlocal Coulomb interactions in perovskite transition metal oxides
• Anisotropy of electronic correlations: On the applicability of local theories to layered materials
• Nonlocal Coulomb interaction and spin-freezing crossover as a route to valence-skipping charge order
• Extended Falicov-Kimball model: Exact solution for finite temperatures
• Charge-Order on the Triangular Lattice: A Mean-Field Study for the Lattice $S=1/2$ Fermionic Gas
• Extended Falicov-Kimball model: exact solution for the ground state
• Multi-channel fluctuating field approach to competing instabilities in interacting electronic systems
• Fully {\it ab-initio} electronic structure of Ca${}_2$RuO${}_4$
• Non-local Correlation Effects in Fermionic Many-Body Systems: Overcoming the Non-causality Problem
• Controlling magnetic frustration in 1T-TaS${}_2$ via Coulomb engineered long-range interactions
• Density-wave steady-state phase of dissipative ultracold fermions with nearest-neighbor interactions
• Spatial non-locality of electronic correlations beyond GW approximation
• Electron-magnon dynamics triggered by an ultrashort laser pulse: A real-time Dual $GW$ study
• Static treatment of dynamic interactions in the single-orbital Anderson impurity model
• Dual-space cluster-diagrammatic approach to nonlocal electronic correlations
• Site-polarized Mott phases competing with a correlated metal in twisted WSe${}_2$
• Comparing the effective enhancement of local and non-local spin-orbit couplings on honeycomb lattices due to strong electronic correlations
• Multi-band D-TRILEX approach to materials with strong electronic correlations