Barycentric rational function approximation made simple: A fast analytic continuation method for Matsubara Green's functions

Analytic continuation is a critical step in quantum many-body computations, connecting imaginary-time or Matsubara Green's functions with real-frequency spectral functions, which can be directly compared to experimental results. However, because of the ill-posed nature of the analytic continuation problems, they have not been completely solved so far. In this paper, we suggest a simple, yet highly efficient method for analytic continuations of Matsubara Green's functions. This method takes advantage of barycentric rational functions to directly interpolate Matsubara Green's functions. At first, the nodes and weights of the barycentric rational functions are determined by the adaptive Antoulas-Anderson algorithm, avoiding reliance on nonconvex optimization. Next, the retarded Green's functions and the related spectral functions are evaluated by the resulting interpolants. We systematically explore the performance of this method through a series of toy models and realistic examples, comparing its accuracy and efficiency with other popular methods, such as the maximum entropy method. The benchmark results demonstrate that the new method can accurately reproduce not only continuous but also discrete spectral functions, irrespective of their positive definiteness. It works well even in the presence of intermediate noise, and outperforms traditional analytic continuation methods in computational speed. We believe that this method should stand out for its robustness against noise, broad applicability, high precision, and ultra-efficiency, offering a promising alternative to the maximum entropy method.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-03-17
DOI
https://doi.org/10.1103/physrevb.111.125139
Citations
5
Primary Topic
Matrix Theory and Algorithms
Type
article
Field-Weighted Citation Impact
7.52

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article

Barycentric rational function approximation made simple: A fast analytic continuation method for Matsubara Green's functions

Changming Yue, Li Huang
5 citations
Physical review. B./Physical review. B
Matrix Theory and Algorithms
7.52
article

Barycentric rational function approximation made simple: A fast analytic continuation method for Matsubara Green's functions

Changming Yue, Li Huang
article en
5 citations

Abstract

Analytic continuation is a critical step in quantum many-body computations, connecting imaginary-time or Matsubara Green's functions with real-frequency spectral functions, which can be directly compared to experimental results. However, because of the ill-posed nature of the analytic continuation problems, they have not been completely solved so far. In this paper, we suggest a simple, yet highly efficient method for analytic continuations of Matsubara Green's functions. This method takes advantage of barycentric rational functions to directly interpolate Matsubara Green's functions. At first, the nodes and weights of the barycentric rational functions are determined by the adaptive Antoulas-Anderson algorithm, avoiding reliance on nonconvex optimization. Next, the retarded Green's functions and the related spectral functions are evaluated by the resulting interpolants. We systematically explore the performance of this method through a series of toy models and realistic examples, comparing its accuracy and efficiency with other popular methods, such as the maximum entropy method. The benchmark results demonstrate that the new method can accurately reproduce not only continuous but also discrete spectral functions, irrespective of their positive definiteness. It works well even in the presence of intermediate noise, and outperforms traditional analytic continuation methods in computational speed. We believe that this method should stand out for its robustness against noise, broad applicability, high precision, and ultra-efficiency, offering a promising alternative to the maximum entropy method.

Physical review. B./Physical review. BVol. 111(12)
Southern University of Science and Technology (CN), Science and Technology on Surface Physics and Chemistry Laboratory (CN)
National Natural Science Foundation of China, Southern University of Science and Technology, National Key Research and Development Program of China
Zero hunger
Openalex Percentile: Top 3%
Matrix Theory and Algorithms
7.52
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