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March 3, 2026Wuli yu gongcheng.0 citationsOpen Access

From Single Particles to Many-Body Systems: The Practice of Exact Diagonalization in Computational Physics Teaching

HWHanqing WUDYDaoxin YAO

Key Points

  • Exact diagonalization helps students understand quantum mechanics through structured examples and methodologies.
  • Students master procedures like basis selection and matrix construction, essential for quantum problem-solving.
  • Instruction progresses from single-particle to many-body systems, reinforcing fundamental concepts in computational physics.
  • The framework supports students' future studies in advanced numerical techniques like tensor networks and density matrix methods.

Abstract

Exact diagonalization serves as the most intuitive numerical approach for solving quantum problems and is widely applied in both few-body and many-body systems, making it a core component of computational physics curricula. Guided by a scaffolded teaching philosophy that progresses from fundamental to advanced concepts, this paper systematically outlines the instruction of exact diagonalization in undergraduate computational physics courses—beginning with single-particle systems and gradually advancing to quantum many-body systems. Through a series of carefully designed pedagogical examples, students not only master key procedural steps such as basis selection, symmetry utilization, matrix construction, and diagonalization, but also develop a deeper comprehension of the method's strengths and limitations. This instructional framework effectively bridges the formalism of quantum mechanics with cutting-edge many-body numerical techniques, laying a solid groundwork for students' future exploration of advanced many-body computational methods such as the density matrix renormalization group and tensor networks.

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Cite This Study

WU et al. (2025) studied this question.

synapsesocial.com/papers/69a76744badf0bb9e87e03b0https://doi.org/10.26599/phys.2025.9320601
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