Stochastic many-body perturbation theory for high-order calculations

High-order perturbative $\textit{ab initio}$ calculations are challenging due to the rapidly growing configuration space and the difficulty of assessing convergence. In this letter, we introduce perturbation theory quantum Monte Carlo (PTQMC), a stochastic approach designed to compute high-order many-body perturbative corrections. By representing the perturbative wave function with random walkers in configuration space, PTQMC avoids the exponential scaling inherent to conventional constructions of high-rank excitation operators. Benchmark calculations for the Richardson pairing model demonstrate that PTQMC accurately reproduces exact many-body perturbation theory (MBPT) coefficients up to 16th order, even in strongly divergent regimes. We further show that combining PTQMC with series resummation techniques yields stable and precise energy estimates in cases where the straightforward perturbative series fails. Finally, we propose the effective number of configurations, $e^{S}$, as a global measure of perturbative wave-function complexity that can be directly extracted within PTQMC. We demonstrate that the saturation behavior of $e^{S}$ provides a more reliable indicator of the validity of perturbative expansions than energy convergence alone.

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Publication Details

Journal
Physical review. C
Published
2026-04-07
DOI
https://doi.org/10.1103/q3vn-8y8s
Primary Topic
Quantum many-body systems
Type
article
Field-Weighted Citation Impact
0.00

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article

Stochastic many-body perturbation theory for high-order calculations

Anonymous
Physical review. C
Quantum many-body systems
article

Stochastic many-body perturbation theory for high-order calculations

Anonymous
article en

Abstract

High-order perturbative $\textit{ab initio}$ calculations are challenging due to the rapidly growing configuration space and the difficulty of assessing convergence. In this letter, we introduce perturbation theory quantum Monte Carlo (PTQMC), a stochastic approach designed to compute high-order many-body perturbative corrections. By representing the perturbative wave function with random walkers in configuration space, PTQMC avoids the exponential scaling inherent to conventional constructions of high-rank excitation operators. Benchmark calculations for the Richardson pairing model demonstrate that PTQMC accurately reproduces exact many-body perturbation theory (MBPT) coefficients up to 16th order, even in strongly divergent regimes. We further show that combining PTQMC with series resummation techniques yields stable and precise energy estimates in cases where the straightforward perturbative series fails. Finally, we propose the effective number of configurations, $e^{S}$, as a global measure of perturbative wave-function complexity that can be directly extracted within PTQMC. We demonstrate that the saturation behavior of $e^{S}$ provides a more reliable indicator of the validity of perturbative expansions than energy convergence alone.

Physical review. CVol. 113(5)
Peking University (CN), Institute of Modern Physics (CN), Key Laboratory of Nuclear Radiation and Nuclear Energy Technology (CN), State Key Laboratory of Nuclear Physics and Technology
National Natural Science Foundation of China, Peking University, National Key Research and Development Program of China
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Quantum many-body systems
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