Modified GW method in electronic systems

Zhipeng Sun, Zhenhao Fan, Hui Li, Dingping Li, and Baruch Rosenstein
Phys. Rev. B 104, 125137 – Published 24 September 2021

Abstract

A modified GW approximation to many-body systems is developed. The approximation has the same computational complexity as the traditional GW approach, but uses a different truncation scheme. This scheme neglects the high-order connected correlation functions. A covariant (preserving the Ward identities due to the charge conservation) scheme for the two-body correlators is employed, which holds the relation between the charge correlator and the charge susceptibility. The method is tested on the two-dimensional one-band Hubbard model. The results are compared with exact diagonalization, the GW approximation, the fluctuation-exchange (FLEX) theory, and determinantal Monte Carlo approach. The comparison for the (one-body) Green's function demonstrates that it is more precise in the strong-coupling regime (especially away from half filling) than the GW and FLEX approximations, which have a similar complexity. More importantly, this method indicates a Mott-Hubbard gap as the Hubbard U increases, whereas the GW and FLEX methods fail. In addition, the charge correlator obtained from the covariant scheme not only holds the consistency of the static charge susceptibility, but also makes a significant improvement over the random phase approximation calculations.

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  • Received 31 May 2021
  • Revised 14 September 2021
  • Accepted 15 September 2021

DOI:https://doi.org/10.1103/PhysRevB.104.125137

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Zhipeng Sun1,2, Zhenhao Fan1,2, Hui Li1,2, Dingping Li1,2,*, and Baruch Rosenstein3,†

  • 1School of Physics, Peking University, Beijing 100871, China
  • 2Collaborative Innovation Center of Quantum Matter, Beijing 100871, China
  • 3Electrophysics Department, National Yang Ming Chiao Tung University, Hsinchu 30050, Taiwan, Republic of China

  • *lidp@pku.edu.cn
  • vortexbar@yahoo.com

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Issue

Vol. 104, Iss. 12 — 15 September 2021

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