Exact diagonalization solver for extended dynamical mean-field theory
Abstract
This paper presents an efficient exact diagonalization scheme for the extended dynamical mean-field theory and apply it to the extended Hubbard model on the square lattice with nonlocal charge-charge interactions. Our solver reproduces the phase diagram of this approximation with good accuracy. Details on the numerical treatment of the large Hilbert space of the auxiliary Holstein-Anderson impurity problem are provided. Benchmarks with a numerically exact strong-coupling continuous-time quantum Monte Carlo solver show better convergence behavior of the exact diagonalization in the deep insulator. Special attention is given to possible effects due to the discretization of the bosonic bath. We discuss the quality of real axis spectra and address the question of screening in the Mott insulator within extended dynamical mean-field theory.
- Authors:
-
- Ural Federal Univ., Ekaterinburg (Russia). Theoretical Physics and Applied Mathematics Dept.
- Ural Federal Univ., Ekaterinburg (Russia). Theoretical Physics and Applied Mathematics Dept.; Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics
- Univ. of Hamburg (Germany). Inst. for Theoretical Physics
- Ural Federal Univ., Ekaterinburg (Russia). Theoretical Physics and Applied Mathematics Dept.; Univ. of Hamburg (Germany). Inst. for Theoretical Physics
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1544341
- Alternate Identifier(s):
- OSTI ID: 1416444
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 96; Journal Issue: 23; 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
Medvedeva, Darya, Iskakov, Sergei, Krien, Friedrich, Mazurenko, Vladimir V., and Lichtenstein, Alexander I. Exact diagonalization solver for extended dynamical mean-field theory. United States: N. p., 2017.
Web. doi:10.1103/PhysRevB.96.235149.
Medvedeva, Darya, Iskakov, Sergei, Krien, Friedrich, Mazurenko, Vladimir V., & Lichtenstein, Alexander I. Exact diagonalization solver for extended dynamical mean-field theory. United States. https://doi.org/10.1103/PhysRevB.96.235149
Medvedeva, Darya, Iskakov, Sergei, Krien, Friedrich, Mazurenko, Vladimir V., and Lichtenstein, Alexander I. Fri .
"Exact diagonalization solver for extended dynamical mean-field theory". United States. https://doi.org/10.1103/PhysRevB.96.235149. https://www.osti.gov/servlets/purl/1544341.
@article{osti_1544341,
title = {Exact diagonalization solver for extended dynamical mean-field theory},
author = {Medvedeva, Darya and Iskakov, Sergei and Krien, Friedrich and Mazurenko, Vladimir V. and Lichtenstein, Alexander I.},
abstractNote = {This paper presents an efficient exact diagonalization scheme for the extended dynamical mean-field theory and apply it to the extended Hubbard model on the square lattice with nonlocal charge-charge interactions. Our solver reproduces the phase diagram of this approximation with good accuracy. Details on the numerical treatment of the large Hilbert space of the auxiliary Holstein-Anderson impurity problem are provided. Benchmarks with a numerically exact strong-coupling continuous-time quantum Monte Carlo solver show better convergence behavior of the exact diagonalization in the deep insulator. Special attention is given to possible effects due to the discretization of the bosonic bath. We discuss the quality of real axis spectra and address the question of screening in the Mott insulator within extended dynamical mean-field theory.},
doi = {10.1103/PhysRevB.96.235149},
journal = {Physical Review B},
number = 23,
volume = 96,
place = {United States},
year = {Fri Dec 29 00:00:00 EST 2017},
month = {Fri Dec 29 00:00:00 EST 2017}
}
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Figures / Tables:
FIG. 1: Discrete probability distribution of the total number of bosons. Each data point corresponds to the probability of finding the respective number of bosons excited. The data points agree very well with an exponential decay for all considered parameters.
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Works referencing / citing this record:
Charge ordering and nonlocal correlations in the doped extended Hubbard model
journal, March 2018
- Terletska, Hanna; Chen, Tianran; Paki, Joseph
- Physical Review B, Vol. 97, Issue 11
Charge ordering and non-local correlations in the doped extended Hubbard model
text, January 2018
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- arXiv
Charge order and antiferromagnetism in the extended Hubbard model
text, January 2019
- Paki, Joseph; Terletska, Hanna; Iskakov, Sergei
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