Zadeh Dariush Habibollah
Department of Chemistry, Niagara University, Lewiston, NY, USA.
J Mol Model. 2022 Aug 30;28(9):282. doi: 10.1007/s00894-022-05257-x.
This article is about generalization and extension of the Bohr atomic model as well as the Rydberg formula to make them applicable to all atomic/ionic excited states and their energy levels. Bohr and Rydberg's original works were deemed only for hydrogen and the hydrogen-like ions but in time many mistakenly have come to the conclusion that those original forms of the theory are applicable to all species. This article clarifies the subject and helps with the misunderstandings. The article reviews first the original theory of atoms, the related excited states, and the related energy levels. It then shows the shortcoming of the original formulations and makes changes to generalize the theory and extend their applications to all atoms and their related ions. The theory of atomic excited states is re-formulated using a newly defined parameter called "characteristic exponent k" and the corresponding ionization energy. Numerical calculations and detailed works for several elements are presented to establish a better understanding of excited states. The article seeks also for a connection between the atomic energy levels and the internal structures and inner electrons of atoms. Furthermore, a small data bank is generated using the calculated "characteristic exponents k" for elements to be utilized for future simulations, studies, and research activities.
本文旨在对玻尔原子模型以及里德伯公式进行推广和扩展，使其适用于所有原子/离子的激发态及其能级。玻尔和里德伯的原著仅针对氢原子和类氢离子，但随着时间的推移，许多人错误地得出结论，认为该理论的原始形式适用于所有物种。本文对这一主题进行了澄清，并有助于消除误解。文章首先回顾了原子的原始理论、相关的激发态以及相关的能级。然后指出了原始公式的不足之处，并进行了修改，以推广该理论并将其应用扩展到所有原子及其相关离子。利用新定义的参数“特征指数k”和相应的电离能对原子激发态理论进行了重新表述。给出了几种元素的数值计算和详细工作，以更好地理解激发态。本文还寻求原子能级与原子内部结构和内层电子之间的联系。此外，利用计算出的元素“特征指数k”生成了一个小型数据库，以供未来的模拟、研究和科研活动使用。
