大学化学 >> 2025, Vol. 40 >> Issue (9): 375-382.doi: 10.12461/PKU.DXHX202411015

自学之友 上一篇    

基于MATLAB的类氢轨道可视化及相关教学问题解析

杨一莹, 朱荣秀, 马玉臣, 张冬菊   

  1. 山东大学化学与化工学院, 济南 250100
  • 收稿日期:2024-11-01 录用日期:2024-12-18 发布日期:2025-09-16
  • 通讯作者: 张冬菊 E-mail:zhangdj@sdu.edu.cn
  • 基金资助:
    国家自然科学基金(22273051)；山东省高等教育本科教学改革研究项目(Z2022169)；山东大学教育教学改革研究项目(2023Y061,2023Y102,2024Z07)；济南市科技局“新高校20条”项目(202228082)

MATLAB-based Visualization of Hydrogen-Like Orbitals and Analysis of Relavant Teaching Problems

Yiying Yang, Rongxiu Zhu, Yuchen Ma, Dongju Zhang   

  1. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China
  • Received:2024-11-01 Accepted:2024-12-18 Published:2025-09-16
  • Contact: Dongju Zhang E-mail:zhangdj@sdu.edu.cn

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摘要： 类氢轨道是结构化学的重要教学内容，现有教材多以简化示意图呈现其图像。本文通过编写MATLAB代码，系统绘制了类氢轨道波函数及其角度部分的空间图像，并对其进行了详细分析。通过对比可视化图像，澄清了一些教学中常见的误区，并指出了Orbital Viewer等常用软件中的错误。本文结果为可视化教学提供了重要素材，为加深学生对类氢轨道性质的理解提供了一定的指导。

关键词: MATLAB, 可视化教学, 类氢轨道, 等值面

Abstract: Hydrogen-like orbitals represent a crucial topic in the education of structural chemistry; however, existing textbooks usually present simplified schematic diagrams of their images. This paper employs MATLAB codes to systematically generate visualizations of the wave functions of hydrogen-like orbitals, including detailed isosurfaces of their angular components, followed by an in-depth analysis. By comparing these visualized images, we clarify several common misconceptions encountered in teaching and highlight errors found in widely used software, such as Orbital Viewer. The findings of this study provide valuable resources for visual teaching and offer significant insights to enhance students’ understanding of the characteristics of hydrogen-like orbitals.

Key words: MATLAB, Visualization teaching, Hydrogen-like orbitals, Isosurfaces