Non-Perturbative Treatment of Charge and Spin Fluctuations in the Two-Dimensional Extended Hubbard Model: Extended Two-Particle Self-Consistent Approach

TL;DR

This paper extends the two-particle self-consistent approach to include functional derivatives, improving the modeling of spin and charge fluctuations in the 2D extended Hubbard model, aligning better with Quantum Monte-Carlo results.

Contribution

The authors develop an extended TPSC method that incorporates functional derivatives of pair correlation functions, enhancing accuracy in describing fluctuations in the EHM.

Findings

Improved agreement with Quantum Monte-Carlo benchmarks.

Determination of crossover temperatures for fluctuation dominance.

Self-determined wave vectors for dominant fluctuations.

Abstract

We study the spin and charge fluctuations of the extended Hubbard model (EHM) 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 (ETPSC) 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 conservations laws and the Mermin-Wagner theorem. Our current results are in much better agreement with benchmark Quantum Monte-Carlo (QMC) results. As a function of U and V, we can determine the crossover temperatures towards renormalized classical regimes where either spin or charge fluctuations dominate. The dominant wave vector is self-determined by the approach.