Effective modeling of open quantum systems by low-rank discretization of structured environments.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2024-10-21 DOI:10.1063/5.0232232
Hideaki Takahashi, Raffaele Borrelli
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Abstract

The accurate description of the interaction of a quantum system with its environment is a challenging problem ubiquitous across all areas of physics and lies at the foundation of quantum mechanics theory. Here, we pioneer a new strategy to create discrete low-rank models of the system-environment interaction, by exploiting the frequency and time domain information encoded in the fluctuation-dissipation relation connecting the system-bath correlation function and the spectral density. We demonstrate the effectiveness of our methodology by combining it with tensor-network methodologies and simulating the quantum dynamics of complex excitonic systems in a highly structured bosonic environment. The new modeling framework sets the basis for a leap in the analysis of open quantum systems, providing controlled accuracy at significantly reduced computational costs, with benefits in all connected research areas.

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通过结构化环境的低阶离散化对开放量子系统进行有效建模。
准确描述量子系统与其环境的相互作用是物理学各个领域普遍存在的挑战性问题,也是量子力学理论的基础。在此,我们开创了一种新策略,通过利用连接系统-浴相关函数和频谱密度的波动-消散关系中编码的频域和时域信息,创建系统-环境相互作用的离散低阶模型。我们将这一方法与张量网络方法相结合,模拟了高度结构化玻色环境中复杂激子系统的量子动力学,从而证明了这一方法的有效性。新的建模框架为开放量子系统分析的飞跃奠定了基础,它以显著降低的计算成本提供了可控的精确度,在所有相关研究领域都大有裨益。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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