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arXiv:2607.14689

A low-rank hierarchical framework for the non-Markovian stochastic Schrödinger equation with convergence analysis

Zhuohan Zhang, Zhenning Cai

Published Jul 16, 2026• 0 citations
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Abstract

We propose and analyze a novel numerical framework for the non-Markovian stochastic Schrödinger equation (NMSSE) based on a low-rank approximation of the bath correlation functions. By decomposing the memory kernel into a finite-dimensional representation, we derive a truncated system of hierarchical equations that effectively balances computational tractability with physical fidelity. A rigorous convergence analysis is established for the hierarchical framework under mild assumptions. We demonstrate that our formulation serves as a mathematical generalization of the Hierarchy of Pure States (HOPS), encompassing it as a special case while offering a more flexible representation of non-Markovian effects. Numerical experiments across several benchmark models are presented to illustrate the validity and efficacy of the proposed method.

DOI
10.48550/arxiv.2607.14689

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We propose and analyze a novel numerical framework for the non-Markovian stochastic Schrödinger equation (NMSSE) based on a low-rank approximation of the bath correlation functions. By decomposing the memory kernel into a finite-dimensional representation, we derive a truncated system of hierarchical equations that effectively balances computational tractability with physical fidelity. A rigorous convergence analysis is established for the hierarchical framework under mild assumptions. We demonstrate that our formulation serves as a mathematical generalization of the Hierarchy of Pure States (HOPS), encompassing it as a special case while offering a more flexible representation of non-Markovian effects. Numerical experiments across several benchmark models are presented to illustrate the validity and efficacy of the proposed method.
We derive a stochastic hierarchy of matrix product states (HOMPS) for non-Markovian dynamics in an open quantum system at finite temperature, which is numerically exact and efficient. HOMPS is obtained from the recently developed stochastic hierarchy of pure states (HOPS) by expressing HOPS in terms of formal creation and annihilation operators. The resulting stochastic first-order differential equation is then formulated in terms of matrix product states and matrix product operators. In this way the exponential complexity of HOPS can be reduced to scale polynomial with the number of particles. The validity and efficiency of HOMPS is demonstrated for the spin-boson model and long chains where each site is coupled to a structured, strongly non-Markovian environment.
The numerical simulation of non-Markovian open quantum systems based on the non-Markovian quantum state diffusion (NMQSD) equation is complicated by functional derivatives with respect to the stochastic process. A general numerical framework that directly treats these functional derivatives without relying on prescribed decompositions of the bath correlation function is still lacking. In this work, we derive an analytical solution of the linear NMQSD equation that reveals three elementary structures of the non-Markovian stochastic dynamics: stochastic propagation, functional-derivative insertion, and memory pairing. Based on this structure, we construct a general auxiliary-state framework for arbitrary bath correlation functions. The framework separates the numerical construction into time discretization, memory quadrature, and hierarchy truncation. We then construct first- and second-order schemes and provide diagrammatic transition rules for their explicit implementation. Numerical results verify the expected temporal accuracy and demonstrate the applicability of the proposed methods to different bath correlation functions and multi-level quantum systems.
Based on the path integral approach, we derive a new realization of the exact non-Markovian stochastic Schrödinger equation (SSE). The main difference from the previous non-Markovian quantum state diffusion (NMQSD) method is that the complex Gaussian stochastic process used for the forward propagation of the wave function is correlated, which may be used to reduce the amplitude of the non-Markovian memory term at high temperatures. The new SSE is then written into the recently developed hierarchy of pure states scheme, in a form that is more closely related to the hierarchical equation of motion approach. Numerical simulations are then performed to demonstrate the efficiency of the new method.
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We derive a hierarchy of matrix product states (HOMPS) method which is numerically exact and efficient for general non-Markovian dynamics in open quantum system. This HOMPS is trying to attack the exponential wall issue in the recently developed hierarchy of pure states (HOPS) scheme with two steps: a. finding an effective time-dependent Schrodinger equation which is equivalent to HOPS, b. propagating this equation within matrix product states/operators (MPS/MPO) representation. HOMPS works in linear form and takes into account finite temperature effect straightforwardly from the initial pure state. Applications of HOMPS to spin-boson model covering both high and low temperatures are provided, demonstrating the validity and efficiency of the new approach.
Non-Markovian stochastic Schrodinger equations (NMSSE) are important tools in quantum mechanics, from the theory of open systems to foundations. Yet, in general, they are but formal objects: their solution can be computed numerically only in some specific cases or perturbatively. This article is focused on the NMSSE themselves rather than on the open-system evolution they unravel and aims at making them less abstract. Namely, we propose to write the stochastic realizations of linear NMSSE as averages over the solutions of an auxiliary equation with an additional random field. Our method yields a non-perturbative numerical simulation algorithm for generic linear NMSSE that can be made arbitrarily accurate for reasonably short times. For isotropic complex noises, the method extends from linear to non-linear NMSSE and allows to sample the solutions of norm-preserving NMSSE directly.