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MPSDynamics.jl:用于有限温度(非马尔可夫)开放量子系统动力学的张量网络模拟。

MPSDynamics.jl: Tensor network simulations for finite-temperature (non-Markovian) open quantum system dynamics.

作者信息

Lacroix Thibaut, Le Dé Brieuc, Riva Angela, Dunnett Angus J, Chin Alex W

机构信息

Institut für Theoretische Physik und IQST, Universität Ulm, Albert-Einstein-Allee 11, D-89081 Ulm, Germany.

Sorbonne Université, CNRS, Institut des NanoSciences de Paris, 4 Place Jussieu, 75005 Paris, France.

出版信息

J Chem Phys. 2024 Aug 28;161(8). doi: 10.1063/5.0223107.

Abstract

The MPSDynamics.jl package provides an easy-to-use interface for performing open quantum systems simulations at zero and finite temperatures. The package has been developed with the aim of studying non-Markovian open system dynamics using the state-of-the-art numerically exact Thermalized-Time Evolving Density operator with Orthonormal Polynomials Algorithm based on environment chain mapping. The simulations rely on a tensor network representation of the quantum states as matrix product states (MPS) and tree tensor network states. Written in the Julia programming language, MPSDynamics.jl is a versatile open-source package providing a choice of several variants of the Time-Dependent Variational Principle method for time evolution (including novel bond-adaptive one-site algorithms). The package also provides strong support for the measurement of single and multi-site observables, as well as the storing and logging of data, which makes it a useful tool for the study of many-body physics. It currently handles long-range interactions, time-dependent Hamiltonians, multiple environments, bosonic and fermionic environments, and joint system-environment observables.

摘要

MPSDynamics.jl软件包提供了一个易于使用的接口,用于在零温和有限温度下进行开放量子系统模拟。该软件包的开发目的是使用基于环境链映射的具有正交多项式算法的最新数值精确热化时间演化密度算子来研究非马尔可夫开放系统动力学。模拟依赖于量子态的张量网络表示,即矩阵乘积态(MPS)和树张量网络态。MPSDynamics.jl用Julia编程语言编写,是一个通用的开源软件包,提供了几种用于时间演化的含时变分原理方法的变体选择(包括新颖的键自适应单格点算法)。该软件包还为单格点和多格点可观测量的测量以及数据的存储和记录提供了强大支持,这使其成为研究多体物理的有用工具。它目前可处理长程相互作用、含时哈密顿量、多个环境、玻色子和费米子环境以及联合系统 - 环境可观测量。

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