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

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Article number045101
JournalPhysical Review B
Volume97
Issue number4
DOIs
StatePublished - Jan 3 2018

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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