We study the spin and charge fluctuations of the extended Hubbard model with on-site interaction
U and first neighbor interaction
V on the two-dimensional square lattice in the weak to intermediate coupling regime. We propose an extension of the two-particle self-consistent approximation that includes the effect of functional derivatives of the pair-correlation functions on irreducible spin and charge vertices. These functional derivatives were ignored in our previous work. We evaluate them assuming particle-hole symmetry. The resulting theory satisfies conservation laws and the Mermin-Wagner theorem. Our current results are in much better agreement with benchmark quantum Monte Carlo results. This theory allows us to reliably determine the crossover temperatures toward renormalized-classical regimes, and hence, the dominant instability as a function of
U and
V. We have considered fillings
n=1 and
n=0.75. Either spin or charge fluctuations can dominate. The wave vector is self-determined by the approach.
A self-consistent theory for two-particle fluctuations with renormalized irreducible vertices is proposed. Using the Parquet formalism, we construct the fully antisymmetric full vertex in terms of the two-particle fluctuations in the charge, the spin and the particle-particle channels on an equal footing to satisfy the Pauli principle. The fluctuations are determined self-consistently, which are reflected into the one-particle self-energy via the Schwinger-Dyson equation. We demonstrate the application of the present theory to the impurity Anderson model and the Hubbard model on a square lattice mainly for the particle-hole symmetric case. In both models the vertex renormalization in the spin channel eliminates magnetic instabilities of mean-field theory to ensure the Mermin-Wagner theorem. The present theory gives the same critical exponents of the self-consistent renormalization theory in the quantum critical region.
Theoretical methods that are accurate for both short-distance observables and long-wavelength collective modes are still being developed for the Hubbard model. Here, we benchmark an approach that combines dynamical mean-field theory (DMFT) observables with the two-particle self-consistent theory (TPSC). This offers a way to include non-local correlations in DMFT while also improving TPSC. The benchmarks are published diagrammatic quantum Monte Carlo results for the two-dimensional square lattice Hubbard model with nearest-neighbor hopping. This method (
TPSC+DMFT) is relevant for weak to intermediate interaction, satisfies the local Pauli principle, and allows us to compute a spin susceptibility that satisfies the Mermin-Wagner theorem. The DMFT double occupancy determines the spin and charge vertices through local spin and charge sum rules. The TPSC self-energy is also improved by replacing its local part with the local DMFT self-energy. With this method, we find improvements for both spin and charge fluctuations and for the self-energy. We also find that the accuracy check developed for TPSC is a good predictor of deviations from benchmarks for this model.
TPSC+DMFT can be used in regimes where quantum Monte Carlo is inaccessible. In addition, this method paves the way to multiband generalizations of TPSC that could be used in advanced electronic structure codes that include DMFT.