Ab initio calculations with the dynamical vertex approximation

Abstract

We propose an approach for the ab initio calculation of materials with strong electronic correlations which is based on all local (fully irreducible) vertex corrections beyond the bare Coulomb interaction. It includes the so-called GW and dynamical mean field theory and important non-local correlations beyond, with a computational effort estimated to be still manageable.

8 pages, 6 figures

References in corpus (7)

• Dynamical vertex approximation - a step beyond dynamical mean field theory
• Kinks in the dispersion of strongly correlated electrons
• Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
• Momentum-resolved spectral functions of SrVO${}_3$ calculated by LDA+DMFT
• Influence of Spatial Correlations in Strongly Correlated Electron Systems: Extension to Dynamical Mean Field Approximation
• Dynamical vertex approximation for nanoscopic systems
• Kinks in the electronic specific heat

Cited by in corpus (34)

• Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
• Fluctuation diagnostics of the electron self-energy: Origin of the pseudogap physics
• Ab initio dynamical vertex approximation
• Multitier self-consistent $GW$+EDMFT
• One-particle irreducible functional approach - a new route to diagrammatic extensions of DMFT
• Impact of nonlocal correlations over different energy scales: A Dynamical Vertex Approximation study
• Divergences of the irreducible vertex functions in correlated metallic systems: Insights from the Anderson Impurity Model
• Merging GW with DMFT and non-local correlations beyond
• Quantum criticality with a twist - interplay of correlations and Kohn anomalies in three dimensions
• Boson-Exchange Parquet Solver for dual fermions
• Multiscale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains
• Unified picture for the colossal thermopower compound FeSb${}_2$
• Efficient Bethe-Salpeter equations' treatment in dynamical mean-field theory
• Dynamical vertex approximation for the two-dimensional Hubbard model
• Dynamical vertex approximation for the attractive Hubbard model
• On the separability of dynamical and non-local correlations in three dimensions
• Dynamical cluster approximation within an augmented plane-wave framework: Spectral properties of SrVO${}_3$
• Correlation effects in transport properties of interacting nanostructures
• Magnetic exchange in $\alpha$-iron from the ab initio calculations in the paramagnetic phase
• The dynamical vertex approximation for many-electron systems with spontaneously broken SU(2)-symmetry
• Realistic theory of electronic correlations in nanoscopic systems
• Parquet approximation for molecules: spectrum and optical conductivity of the Pariser-Parr-Pople model
• The (extended) dynamical mean field theory combined with the two-particle irreducible functional renormalization-group approach as a tool to study strongly-correlated systems
• Towards ab initio calculations with the dynamical vertex approximation
• Non-perturbative intertwining between spin and charge correlations: A "smoking gun" single-boson-exchange result
• Nonlocal correlations in the vicinity of the $\alpha$-$\gamma$ phase transition in iron within a DMFT plus spin-fermion model approach
• Improved treatment of fermion-boson vertices and Bethe-Salpeter equations in non-local extensions of dynamical mean field theory
• Local correlation functions of arbitrary order for the Falicov-Kimball model
• Magnetic properties of half metal from the paramagnetic phase: DFT+DMFT study of exchange interactions in CrO${}_2$
• Effective enhancement of the electron-phonon coupling driven by nonperturbative electronic density fluctuations
• The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap
• Splitting of electronic spectrum in paramagnetic phase of itinerant ferromagnets and altermagnets
• Computing local multipoint correlators using the numerical renormalization group
• Improvement of the simplification method for the local two-particle full-vertex towards precise frequency behavior