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Improved Hubbard-I approximation impurity solver for quantum impurity models.

Huanhuan Qiu1, Jianing Zhuang2, Li Huang3

  • 1Department of Physics, Jiangxi Science and Technology Normal University, No. 605, Fenglin Street, Economic and Technological Development District, Nanchang 330013, People's Republic of China.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|December 8, 2018
PubMed
Summary
This summary is machine-generated.

We developed a fast impurity solver combining Hubbard-I approximation and quantum Monte Carlo methods. This new solver efficiently studies magnetic phase transitions in Hubbard models, showing great potential for complex systems.

Keywords:
Hubbard-I approximationhybridization expansion continuous-time quantum Monte Carlo algorithmimpurity solver

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Area of Science:

  • Condensed Matter Physics
  • Computational Physics

Background:

  • Quantum impurity models are crucial for understanding strongly correlated electron systems.
  • Accurate and efficient solvers are needed for complex multi-orbital systems.

Purpose of the Study:

  • To develop a novel, fast impurity solver by integrating the Hubbard-I approximation with the hybridization expansion continuous-time quantum Monte Carlo algorithm.
  • To validate the solver's performance by investigating magnetic phase transitions in Hubbard models.

Main Methods:

  • Hybridization expansion continuous-time quantum Monte Carlo (CT-QMC) algorithm.
  • Hubbard-I approximation.
  • Single-site dynamical mean-field theory (DMFT).

Main Results:

  • The developed solver combines the strengths of both the Hubbard-I approximation and CT-QMC.
  • Accurate results for magnetic phase transitions in single-band and two-band Hubbard models were obtained.
  • The solver's performance was validated against the established hybridization expansion quantum impurity solver.

Conclusions:

  • The new impurity solver is highly efficient for multi-orbital quantum impurity models.
  • It offers a powerful tool for studying systems with magnetic long-range order.
  • This method is suitable for investigating more realistic condensed matter systems.