Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of Atoms,The Journal of Physical Chemistry Letters

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Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of Atoms
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-09-24 , DOI: 10.1021/acs.jpclett.1c02461
Alexandre Tkatchenko ₁ , Dmitry V Fedorov ₁ , Matteo Gori ₁

Affiliation

The fine-structure constant (FSC) measures the coupling strength between photons and charged particles and is more strongly associated with quantum electrodynamics than with atomic and molecular physics. Here we present an elementary derivation that accurately predicts the electronic polarizability of atoms

A

from their geometric van-der-Waals (vdW) radius R_vdW and the FSC α through the compact formula

A

= (4πε₀/a₀⁴) × α^4/3R_vdW⁷, where ε₀ is the permittivity of free space and a₀ is the Bohr radius. The validity of this formula is empirically confirmed by estimating the value of α from nonrelativistic quantum calculations of atomic polarizabilities and atomic vdW radii obtained from both theory and experiment. Our heuristic derivation based on empirical data extends the influence of FSC from quantum electrodynamics and specific materials properties such as the visual transparency of graphene to atomic electronic properties throughout the periodic table of elements.

中文翻译：

精细结构常数连接电子极化率和原子的几何范德华半径

精细结构常数 (FSC) 衡量光子和带电粒子之间的耦合强度，与量子电动力学的相关性比与原子和分子物理学的相关性更强。在这里，我们提出了一个基本推导，可以准确预测原子的电子极化率

一种

从它们的几何范德华 (vdW) 半径R _vdW和 FSC α 通过紧凑公式

一种

= (4πε ₀ / a ₀⁴ ) × α ^4/3R _vdW⁷，其中ε ₀是自由空间的介电常数，a ₀是玻尔半径。该公式的有效性通过从理论和实验获得的原子极化率和原子 vdW 半径的非相对论量子计算中估计 α 的值得到经验证实。我们基于经验数据的启发式推导将 FSC 的影响从量子电动力学和特定材料特性（例如石墨烯的视觉透明度）扩展到整个元素周期表中的原子电子特性。

更新日期：2021-10-07

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