Identifying the fingerprints of the Mott-Hubbard metal-insulator transition may be quite elusive in correlated metallic systems if the analysis is limited to the single particle level. However, our dynamical mean-field calculations demonstrate that t
he situation changes completely if the frequency dependence of the two-particle vertex functions is considered: The first non-perturbative precursors of the Mott physics are unambiguously identified well inside the metallic regime by the divergence of the local Bethe-Salpeter equation in the charge channel. At low temperatures this occurs in the region where incoherent high-energy features emerge in the spectral function, while at high temperatures it is traceable up to the atomic-limit.
We present an approach which is based on the one-particle irreducible (1PI) generating functional formalism and includes electronic correlations on all length-scales beyond the local correlations of dynamical mean field theory (DMFT). This formalism
allows us to unify aspects of the dynamical vertex approximation (DGammaA) and the dual fermion (DF) scheme, yielding a consistent formulation of non-local correlations at the one- and two-particle level beyond DMFT within the functional integral formalism. In particular, the considered approach includes one-particle reducible contributions from the three- and more-particle vertices in the dual fermion approach, as well as some diagrams not included in the ladder version of DGammaA. To demonstrate the applicability and physical content of the 1PI approach, we compare the diagrammatics of 1PI, DF and DGammaA, as well as the numerical results of these approaches for the half-filled Hubbard model in two dimensions.
Historically, the GW approach was put forward by Hedin as the simplest approximation to the so-called Hedin equations. In Section 2, we will derive these Hedin equations from a Feynman-diagrammatical point of view. Section 3.1 shows how GW arises as
an approximation to the Hedin equations. In Section 3.2, we briefly present some typical GW results for materials, including quasiparticle renormalizations, lifetimes, and band gap enhancements. In Section 4, the combination of GW and DMFT is summarized. Finally, as a prospective outlook, ab initio dynamical vertex approximation D$Gamma$A is introduced in Section 5 as a unifying scheme for all that: GW, DMFT and non-local vertex correlations beyond.
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 m
ean field theory and important non-local correlations beyond, with a computational effort estimated to be still manageable.
By means of the dynamical vertex approximation (D$Gamma$A) we include spatial correlations on all length scales beyond the dynamical mean field theory (DMFT) for the half-filled Hubbard model in three dimensions. The most relevant changes due to non-
local fluctuations are: (i) a deviation from the mean-field critical behavior with the same critical exponents as for the three dimensional Heisenberg (anti)-ferromagnet and (ii) a sizable reduction of the Neel temperature ($T_N$) by $sim 30%$ for the onset of antiferromagnetic order. Finally, we give a quantitative estimate of the deviation of the spectra between D$Gamma$A and DMFT in different regions of the phase-diagram.
