Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling

The Dynamical Mean-Field theory (DMFT) approach to the Hubbard model requires a method to solve the problem of a quantum impurity in a bath of non-interacting electrons. Iterated Perturbation Theory (IPT) has proven its effectiveness as a solver in many cases of interest. Based on general principles and on comparisons with an essentially exact Continuous-Time Quantum Monte Carlo (CTQMC) solver, here we show that the standard implementation of IPT fails away from half-filling when the interaction strength is much larger than the bandwidth. We propose a slight modification to the IPT algorithm that replaces one of the equations by the requirement that double occupancy calculated with IPT gives the correct value. We call this method IPT-$D$. We recover the Fermi liquid ground state away from half-filling. The Fermi liquid parameters, density of states, chemical potential, energy and specific heat on the FCC lattice are calculated with both IPT-$D$ and CTQMC as benchmark examples. We also calculated the resistivity and the optical conductivity within IPT-$D$. Particle-hole asymmetry persists even at coupling twice the bandwidth. Several algorithms that speed up the calculations are described in appendices.Comment: 17 pages, 15 figures, minor changes to improve clarit

Non-perturbative many-body approach to the Hubbard model and single-particle pseudogap

A new approach to the single-band Hubbard model is described in the general context of many-body theories. It is based on enforcing conservation laws, the Pauli principle and a number of crucial sum-rules. More specifically, spin and charge susceptibilities are expressed, in a conserving approximation, as a function of two constant irreducible vertices whose values are found self-consistently. The Mermin-Wagner theorem in two dimensions is automatically satisfied. The effect of collective modes on single-particle properties is then obtained by a paramagnon-like formula that is consistent with the two-particle properties in the sense that the potential energy obtained from $Tr\Sigma G$ is identical to that obtained using the fluctuation-dissipation theorem for susceptibilities. The vertex corrections are included through constant irreducible vertices. The theory is in quantitative agreement with Monte Carlo simulations for both single-particle and two-particle properties. In the two-dimensional renormalized classical regime, spin fluctuations lead to precursors of antiferromagnetic bands (shadow bands) and to the destruction of the Fermi-liquid quasiparticles in a wide temperature range above the zero-temperature phase transition. The analogous phenomenon of pairing pseudogap can occur in the attractive model in two dimensions when the pairing fluctuations become critical. Other many-body approaches are critically compared. It is argued that treating the spin fluctuations as if there was a Migdal's theorem can lead to wrong predictions, in particular with regard to the the single-particle pseudogap.Comment: Small changes to conform to published version. Main text 33 pages. Appendices 16 pages. 11 PS figures epsf/Latex. Section on the single-particle pseudogap can be read independentl