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    Infinite Grassmann time-evolving matrix product operators for quantum impurity problems after a quench

    Zhijie Sun1, Ruofan Chen2, Zhenyu Li1,*, and Chu Guo3,†

    • 1Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei 230026, China
    • 2College of Physics and Electronic Engineering, and Center for Computational Sciences, Sichuan Normal University, Chengdu 610068, China
    • 3Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of Education, Department of Physics and Synergetic Innovation Center for Quantum Effects and Applications, Hunan Normal University, Changsha 410081, China

    • *Contact author: zyli@ustc.edu.cn
    • †Contact author: guochu604b@gmail.com

    Phys. Rev. B 112, 125145 – Published 19 September, 2025

    DOI: https://doi.org/10.1103/g5y8-jfb2

    Abstract

    An emergent numerical approach to solve quantum impurity problems is to encode the impurity path integral as a matrix product state (MPS). For time-dependent problems, the cost of this approach generally scales with the evolution time. Here, we consider a common nonequilibrium scenario where an impurity, initially in equilibrium with a thermal bath, is driven out of equilibrium by a sudden quench of the impurity Hamiltonian. Despite no time-translational invariance in the problem, we show that we could still make full use of the infinite MPS technique, resulting in a method whose cost is essentially independent of the evolution time. We demonstrate the effectiveness of this method in the integrable case against exact diagonalization and against existing calculations on the L-shaped Kadanoff-Baym contour in the general case. Our method could be a very competitive method for studying long-time nonequilibrium quantum dynamics and potentially used as an efficient impurity solver in the nonequilibrium dynamical mean field theory.

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