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Steady-state properties of multi-orbital systems using quantum Monte Carlo
A Erpenbeck1, T Blommel1, L Zhang1
1Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, USA.
The Journal of Chemical Physics
|September 4, 2024
Summary
A new inchworm method precisely simulates complex quantum impurity models. This numerically exact approach overcomes computational challenges, enabling efficient study of multi-orbital systems in steady states.
Area of Science:
- Condensed Matter Physics
- Quantum Many-Body Theory
Background:
- Precise dynamical characterization of quantum impurity models with multiple orbitals is computationally challenging.
- Sign problems in quantum Monte Carlo methods hinder simulations of long times and multi-orbital systems.
Purpose of the Study:
- To develop a numerically exact method that overcomes dynamical and multi-orbital sign problems.
- To enable efficient simulation of multi-orbital quantum impurity models in equilibrium and nonequilibrium steady states.
Main Methods:
- A novel inchworm method is presented, combining steady-state and equilibrium multi-orbital inchworm Monte Carlo techniques.
- The method is verified against analytical limits and results from prior computational approaches.
Main Results:
- The inchworm method successfully alleviates both dynamical and multi-orbital sign problems.
- It allows for direct simulation of multi-orbital systems in steady states.
Conclusions:
- The developed inchworm method offers a significant advancement for simulating complex quantum impurity models.
- This technique provides a computationally tractable pathway for studying quantum systems previously inaccessible due to sign problems.
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