测定双原子分子振动能级和解离能的分析进展

IF 3.6
Ibrahim Amila , Abdelaziz Fedoul , Mohammed Janati Idrissi , Yahya Ababou , Salaheddine Sayouri
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引用次数: 0

摘要

本研究提出了一种计算双原子分子振动能级和解离能的解析方法,即利用Floquet定理和共振平均法(RAM)在三次和四次非调和扰动存在下求解Schrödinger方程(SE)。我们的技术是基于多项式非调和扰动参数的摩尔斯势泰勒展开级数的辨识系数。我们的结果的准确性是通过数值计算不同的双原子分子的例子:H2, HF, HCl, LiH, CO和NO,取自文献。此外,我们还将上述分子的莫尔斯势参数计算值与现有文献中作者的计算值进行了比较。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Analytical development to determine vibrational energy levels and dissociation energy of diatomic molecules
This study presents the development of an analytical method for calculating vibrational energy levels and dissociation energy of diatomic molecules by solving the Schrödinger equation (SE) via the Floquet theorem and the resonating averages method (RAM) in the presence of a cubic together with a quartic anharmonic perturbation. Our technique reposes on the identifying coefficients of the Taylor expansion series of Morse potential in terms of polynomial anharmonic perturbation parameters. The accuracy of our results is illustrated through numerical calculations for different examples of diatomic molecules: H2, HF, HCl, LiH, CO, and NO, taken from the literature. Furthermore, we present comparisons of the calculated values obtained using the Morse potential parameters of the above-mentioned molecules, with those of authors existing in the literature.
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CiteScore
1.40
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