A novel FLEX supplemented QMC approach to the Hubbard model

TL;DR

This paper presents a hybrid computational approach combining QMC and FLEX methods to study the Hubbard model, effectively capturing physics across multiple length scales and providing insights into local moments and Fermi-surface properties.

Contribution

A new hybrid ansatz integrating QMC and FLEX techniques for the Hubbard model, improving accuracy in multi-scale correlation treatments.

Findings

Hybrid scheme accurately describes local moment formation.

QMC clusters with N_C≥4 are necessary for causality.

The approach captures Fermi-surface changes with doping.

Abstract

This paper introduces a novel ansatz-based technique for solution of the Hubbard model over two length scales. Short range correlations are treated exactly using a dynamical cluster approximation QMC simulation, while longer-length-scale physics requiring larger cluster sizes is incorporated through the introduction of the fluctuation exchange (FLEX) approximation. The properties of the resulting hybrid scheme are examined, and the description of local moment formation is compared to exact results in 1D. The effects of electron-electron coupling and electron doping on the shape of the Fermi-surface are demonstrated in 2D. Causality is examined in both 1D and 2D. We find that the scheme is successful if QMC clusters of $N_C\ge 4$ are used (with sufficiently high temperatures in 1D), however very small QMC clusters of $N_C=1$ lead to acausal results.