Sign-free determinant quantum Monte Carlo study of excitonic density orders in a two-orbital Hubbard-Kanamori model

Huang, Xuxin; Moritz, Brian; Claassen, Martin; Devereaux, T. P.

doi:10.1103/physrevb.105.165124

Cited by 6 publications

(2 citation statements)

References 48 publications

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“…These, to the best of our knowledge, correspond to either the first or the lowest number reported for these examples to date. It is important to state that the chosen FH and HK models constitute unsolved actively researched strongly correlated systems in condensed matter physics with actively debated phase diagrams [76] and direct relevance to the physics of cuprates, nickelates and transitions-metal oxides. Our formalism could also be applied to ab-initio models from quantum chemistry, especially when the degree of geometric locality allows to neglect transfer integrals below a given threshold.…”

Section: Discussionmentioning

confidence: 99%

Low-depth simulations of fermionic systems on square-grid quantum hardware

Algaba¹,

Sriluckshmy²,

Leib³

et al. 2023

Preprint

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Section: Discussionmentioning

confidence: 99%

Low-depth simulations of fermionic systems on square-grid quantum hardware

Algaba¹,

Sriluckshmy²,

Leib³

et al. 2023

Preprint

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“…This is a situation where the variance of the estimators of quantities of interest increases exponentially due to quantum statistics. The severity of the problem depends on the computational basis used to tackle the specific model [40][41][42][43][44][45][46]. Generally, the sign problem tends to be more acute in frustrated systems [47,48], hampering the use of QMC to extract quantities of interest, such as correlation functions.…”

Section: Introductionmentioning

confidence: 99%

Real-space spectral simulation of quantum spin models: Application to generalized Kitaev models

Brito,

Ferreira

2024

SciPost Phys. Core

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The proliferation of quantum fluctuations and long-range entanglement presents an outstanding challenge for the numerical simulation of interacting spin systems with exotic ground states. Here, we present a toolset of Chebyshev polynomial-based iterative methods that provides a unified framework to study the thermodynamical properties, critical behavior and dynamics of frustrated quantum spin models with controlled accuracy. Similar to previous applications of the Chebyshev spectral methods to condensed matter systems, the algorithmic complexity scales linearly with the Hilbert space dimension and the Chebyshev truncation order. Using this approach, we study two paradigmatic quantum spin models on the honeycomb lattice: the Kitaev-Heisenberg (K-H) and the Kitaev-Ising (K-I) models. We start by applying the Chebyshev toolset to compute nearest-neighbor spin correlations, specific heat and entropy of the K-H model on a 24-spin cluster. Our results are benchmarked against exact diagonalization and a popular iterative method based on thermal pure quantum states. The transitions between a variety of magnetic phases, namely ferromagnetic, Néel, zigzag and stripy antiferromagnetic and quantum spin liquid phases are obtained accurately and efficiently. We also determine the temperature dependence of the spin correlations, over more than three decades in temperature, by means of a finite temperature Chebyshev polynomial method introduced here. Finally, we report novel dynamical signatures of the quantum phase transitions in the K-I model. Our findings suggest that the efficiency, versatility and low-temperature stability of the Chebyshev framework developed here could pave the way for previously unattainable studies of quantum spin models in two dimensions.

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Edge magnetism in transition metal dichalcogenide nanoribbons: Mean field theory and determinant quantum Monte Carlo

Brito

Lopes

et al. 2022

Phys. Rev. B

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Sign-free determinant quantum Monte Carlo study of excitonic density orders in a two-orbital Hubbard-Kanamori model

Cited by 6 publications

References 48 publications

Low-depth simulations of fermionic systems on square-grid quantum hardware

Low-depth simulations of fermionic systems on square-grid quantum hardware

Real-space spectral simulation of quantum spin models: Application to generalized Kitaev models

Edge magnetism in transition metal dichalcogenide nanoribbons: Mean field theory and determinant quantum Monte Carlo

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