重新审视二维氢原子:用于说明 s、p、d 和 f 轨道的方位波函数

Symmetry Pub Date : 2024-09-05 DOI:10.3390/sym16091163
Phatlada Sathongpaen, Suphawich Jindanate, Attapon Amthong
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引用次数: 0

摘要

二维(2D)氢原子是一个基本原子模型,对于基于二维材料的各种技术非常重要。在此,我们重新审视了这一原子模型,以加深对氢原子波函数的理解。与以往的研究不同,我们提出了方位角波函数的另一种表达方式,它是角动量平方的特征状态,具有旋转对称性。值得注意的是,我们的表达式导致了概率密度沿方位角方向的旋转和振荡,这在传统波函数中是没有的。通过二维有限差分方法获得的数值结果验证了这些行为。在我们提出的二维氢波函数中,可以观察到波函数旋转导致的振荡器强度变化,而传统波函数导致的振荡器强度变化则保持不变。更重要的是,所提出的波函数的优势在于说明了平面氢态的轨道形状,这里首次使用笛卡尔表示法标注了氢态的方向。这项研究可用于观察具有径向势能的量子约束态的轨道特征。
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Revisiting the Two-Dimensional Hydrogen Atom: Azimuthal Wavefunctions for Illustrating s, p, d, and f Orbitals
The two-dimensional (2D) hydrogen atom is a fundamental atomic model that is important for various technologies based on 2D materials. Here, the atomic model is revisited to enhance understanding of the hydrogen wavefunctions. Unlike in previous studies, we propose an alternative expression of azimuthal wavefunctions, which are the eigenstates of the square of angular momentum and exhibit rotational symmetry. Remarkably, our expression leads to the rotation and oscillation along the azimuthal direction of the probability densities, which do not appear in the conventional wavefunctions. These behaviors are validated by the numerical results obtained through the 2D finite difference approach. Variation in oscillator strengths due to the rotation of wavefunctions is observed in our proposed 2D hydrogen wavefunctions, whereas those due to the conventional wavefunctions remain constant. More importantly, the proposed wavefunctions’ advantage is illustrating the orbital shapes of the planar hydrogen states, whose orientation is labeled here using Cartesian representation for the first time. This study can be applied to visualize the orbital characteristics of the states in quantum confinement with a radial potential.
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