The structure and symmetry of modular state space for complex quantum systems.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2025-03-21 DOI:10.1063/5.0245447
Guohua Tao
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Abstract

Understanding the state space structure of complex quantum systems can help to effectively characterize the system properties and explore underlying mechanisms. The structure of the state space could be quite complicated for quantum many-body systems, and the systematic decomposition of the state space is normally involved. Recently, a modular tensor diagram approach was proposed to reorganize the state space hierarchically based on a modular basis. Here, we review the construction of spin eigenfunctions for multiple exciton systems and further develop modular tensor diagrams to exemplify the hierarchical symmetry of the state space. The newly constructed spin eigenfunctions for quadruple excitons, along with the results for triple excitons, are used to demonstrate the effective decomposition of the state space into hierarchical tensorial structures. A universal recursive relation is derived to determine the coefficients of spin eigenfunctions exhibiting transformation symmetry between different classes of elementary modules for an arbitrary number of exciton units. Interestingly, different coupling schemes mapped to quantum many-body interactions lead to different spin adapted basis states, which may correspond to different realistic systems upon the breakdown of spin degeneracy. This work highlights the hierarchical symmetry of the tensorial structure of quantum many-body systems, which may facilitate a better understanding of the structure property relationship toward the object-oriented materials design.

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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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