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精细结构常数连接原子的电子极化率和几何范德华半径。

Fine-Structure Constant Connects Electronic Polarizability and Geometric van-der-Waals Radius of Atoms.

作者信息

Tkatchenko Alexandre, Fedorov Dmitry V, Gori Matteo

机构信息

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

出版信息

J Phys Chem Lett. 2021 Oct 7;12(39):9488-9492. doi: 10.1021/acs.jpclett.1c02461. Epub 2021 Sep 24.

Abstract

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 from their geometric van-der-Waals (vdW) radius and the FSC α through the compact formula = (4πε/) × α, where ε is the permittivity of free space and 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.

摘要

精细结构常数(FSC)衡量光子与带电粒子之间的耦合强度,并且与量子电动力学的关联比与原子和分子物理学的关联更强。在此,我们给出一个基本推导,它通过紧凑公式 = (4πε/) × α,从原子的几何范德瓦尔斯(vdW)半径和FSC α准确预测原子的电子极化率,其中ε是自由空间的电容率, 是玻尔半径。通过从原子极化率的非相对论量子计算以及从理论和实验获得的原子vdW半径估计α的值,该公式的有效性得到了经验证实。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(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。

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