Spectroscopic Evaluation of the Atomic Size

N. Islam
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引用次数: 10

Abstract

A new algorithm for evaluating the atomic size is suggested by entailing the atomic spectroscopic data-the wave number. The basic tenet of the present method is (i) to convert a multi-electron atom system to a hydrogenic atom to invoke the Bohr model for the mechanism of electron transition, and (ii) to use the experimental atomic spectroscopic data of multi electron systems to determine the atomic radii. The estimated set of size data appears to satisfy the entire 'sine qua non' of sizes of atoms of the periodic table. Relativistic effect appears to have been significantly included in the suggested algorithm for evaluating the atomic radii. The express periodicity of periods and groups of periodic table exhibited by the computed atomic radii, d and f block contraction and the manifestation of the relativistic effect in the sizes of lanthanoids and actinoids etc speak volume of the efficacy of the present method in computing atomic size. Furthermore, as a validity test, the size data evaluated in the present work have been exploited to calculate some physical descriptors of the real world like equilibrium inter nuclear distances of a good number of hetero nuclear diatomics. We have noted the surprisingly close agreement between the theoretical and the experimental equilibrium inter-nuclear distances.
原子尺寸的光谱学评价
提出了一种利用原子光谱数据——波数来计算原子尺寸的新算法。本方法的基本原理是:(1)将多电子原子系统转化为氢原子,利用玻尔模型求解电子跃迁机理;(2)利用多电子系统的实验原子光谱数据确定原子半径。估计的尺寸数据集似乎满足了元素周期表中原子尺寸的全部“必要条件”。相对论效应似乎已显著地包括在所建议的计算原子半径的算法中。通过计算原子半径、d块和f块收缩所表现出的元素周期表周期和基团的明显周期性,以及在类镧和类放线素等元素尺寸上的相对论性效应的表现,充分说明了本方法在计算原子尺寸方面的有效性。此外,作为有效性检验,本工作中评估的尺寸数据已被用于计算现实世界的一些物理描述符,如大量异核双原子的平衡核间距离。我们注意到理论平衡核间距离和实验平衡核间距离惊人地吻合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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