辅助量子力学入门概念理解的变分方法的交互应用与可视化

IF 2.5 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Arjan van der Vaart*, Sang T. Le Phan and Brielle Wolfe, 
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引用次数: 0

摘要

我们介绍了一个自我引导的、互动的JupyterLab,让本科生熟悉量子力学的基本概念。在实验室中,线性变分方法应用于受各种一维势影响的受限粒子,包括阶跃势、中心势、双势垒势、抛物线势和相交抛物线势。通过多个场景的可视化,学生学习宇称及其后果,隧道和离域,基集的大小和质量,以及边界和潜在表面曲率对基态概率的影响。化学应用包括氨转化、菁染料的光吸收和HCl中的振动跃迁。该实验室面向的是对量子力学接触有限的学生,不需要编码或“纸笔”数学。所有的代码都是隐藏的,学生的互动是通过按钮,滑块和可填充字段。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Interactive Application and Visualization of the Variational Method to Aid Conceptual Understanding of Introductory Quantum Mechanics

We introduce a self-guided, interactive JupyterLab to familiarize undergraduate students with introductory quantum mechanics concepts. In the lab, the linear variational method is applied to a confined particle that is subject to various 1-dimensional potentials, including a step potential, a central potential, a double barrier potential, and parabolic and intersecting parabola potentials. Through visualization of multiple scenarios, students learn about parity and its consequences, tunneling and delocalization, the size and quality of the basis set, and the effect of boundaries and potential surface curvature on ground state probabilities. Chemical applications include ammonia inversion, light absorption by cyanine dyes, and vibrational transitions in HCl. The lab is geared toward students with limited exposure to quantum mechanics and no coding or “pen-and-paper” math is required. All code is hidden and student interaction is through buttons, sliders and fillable fields.

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来源期刊
Journal of Chemical Education
Journal of Chemical Education 化学-化学综合
CiteScore
5.60
自引率
50.00%
发文量
465
审稿时长
6.5 months
期刊介绍: The Journal of Chemical Education is the official journal of the Division of Chemical Education of the American Chemical Society, co-published with the American Chemical Society Publications Division. Launched in 1924, the Journal of Chemical Education is the world’s premier chemical education journal. The Journal publishes peer-reviewed articles and related information as a resource to those in the field of chemical education and to those institutions that serve them. JCE typically addresses chemical content, activities, laboratory experiments, instructional methods, and pedagogies. The Journal serves as a means of communication among people across the world who are interested in the teaching and learning of chemistry. This includes instructors of chemistry from middle school through graduate school, professional staff who support these teaching activities, as well as some scientists in commerce, industry, and government.
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