Correlation among parameters of the extended-Rydberg potential energy function

被引：0
|
作者：
Teik-Cheng Lim
机构：
[1] National University of Singapore,Faculty of Engineering, Nanoscience and Nanotechnology Initiative
来源：
Journal of Mathematical Chemistry | 2005年 / 38卷
关键词：
extended-Rydberg; interatomic potential; parametric characteristic map;
D O I：
暂无
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学科分类号：
摘要：
This paper reports a remarkable correlation among parameters of extended-Rydberg potential function by recasting the Morse potential in the form of extended-Rydberg function via the application of infinite series expansion to the exponential terms of the Morse function. By using linear regression, a reasonable band that encompasses 90% of the diatomic combination given by Huxley and Murrell [J. Chem. Soc. Faraday Trans. II 79 (1983) 323] is furnished in a plotted characteristic map.
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页码：195 / 201
页数：6
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