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Title: Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory

Abstract

We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1];  [1];  [1]
  1. Ames Lab., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1630917
Report Number(s):
IS-J-10,198
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 101; Journal Issue: 20; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Ye, Zhuo, Zhang, Feng, Yao, Yong-Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory. United States: N. p., 2020. Web. doi:10.1103/PhysRevB.101.205122.
Ye, Zhuo, Zhang, Feng, Yao, Yong-Xin, Wang, Cai-Zhuang, & Ho, Kai-Ming. Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory. United States. doi:https://doi.org/10.1103/PhysRevB.101.205122
Ye, Zhuo, Zhang, Feng, Yao, Yong-Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Fri . "Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory". United States. doi:https://doi.org/10.1103/PhysRevB.101.205122.
@article{osti_1630917,
title = {Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory},
author = {Ye, Zhuo and Zhang, Feng and Yao, Yong-Xin and Wang, Cai-Zhuang and Ho, Kai-Ming},
abstractNote = {We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.},
doi = {10.1103/PhysRevB.101.205122},
journal = {Physical Review B},
number = 20,
volume = 101,
place = {United States},
year = {2020},
month = {5}
}

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