Quantum Monte Carlo study of the metal to insulator transition on a honeycomb lattice with 1/r interactions

TL;DR

This study uses advanced quantum Monte Carlo methods to precisely analyze the metal-insulator transition in a correlated hydrogen lattice on a honeycomb structure, providing benchmarks for future theoretical approaches.

Contribution

It applies fixed node quantum Monte Carlo techniques to accurately identify the transition point and order parameters in a correlated electron system on a honeycomb lattice.

Findings

Identified the transition point between metal and insulator phases.

Determined order parameters for detecting the transition.

Provided benchmark data for density functional theories.

Abstract

Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with many body wave functions and simulate electron correlations, to investigate the metal to insulator transition of a correlated hydrogen lattice. By calculating spin and charge properties, and analyzing the low energy Hilbert space, we identify the transition point and identify order parameters that can be used to detect the transition. Our results provide a benchmark for density functional theories seeking to treat correlated electron systems.