Omugbe E, Eyube E S, Onate C A, Njoku I J, Jahanshir A, Inyang E P, Emeje K O
Department of Physics, University of Agriculture and Environmental Sciences, P.M.B. 1038, Umuagwo, Imo State, Nigeria.
Department of Physics, Faculty of Physical Sciences, Modibbo Adama University, P.M.B. 2076, Yola, Adamawa State, Nigeria.
J Mol Model. 2024 Feb 19;30(3):74. doi: 10.1007/s00894-024-05855-x.
In this paper, the approximate analytical energy equations for the deformed hyperbolic potential have been obtained for arbitrary parameters of the potential. The potential function was transformed to a molecular potential by subjecting it to the Varshni conditions which allows for the determination of the energy levels of diatomic molecules. The molecular vibrational energy spectra for [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text] diatomic molecules were obtained and found to match with the results obtained with another analytical approach, potential functions, and experimental data. The noticeable slight differences in the approximate energy spectra obtained in this work and existing literature may be ascribed to the analytical method, computational approach, and the accuracy of the molecular potential functions. The obtained energy equations were used to determine the energy of a particle for arbitrary parameters of the potential function. The obtained energy is bounded and increases with the increase in the quantum numbers. The results conformed to the ones obtained via the path integral approach and numerical solutions obtained via the MATHEMATICA program.
The energy spectra equations were obtained via the Nikiforov-Uvarov approach and semi-classical WKB approximation. The Pekeris approximation has been applied to resolve the difficulty in solving the complete energy spectrum of the non-relativistic wave equation for the potential function. The numerical data of the energy spectra was obtained using the MATHEMATICA program.
在本文中,已针对势函数的任意参数获得了变形双曲势的近似解析能量方程。通过使势函数满足瓦尔什尼条件将其转换为分子势,这使得能够确定双原子分子的能级。获得了(H_2)、(LiH)、(NaH)、(KCl)和(CsCl)双原子分子振动能谱,并发现与通过另一种解析方法、势函数和实验数据获得的结果相匹配。在本工作中获得的近似能谱与现有文献中存在的明显细微差异可能归因于解析方法、计算方法以及分子势函数的准确性。所获得的能量方程用于确定势函数任意参数下粒子的能量。所获得的能量是有界的,并且随着量子数的增加而增加。结果与通过路径积分方法获得的结果以及通过MATHEMATICA程序获得的数值解一致。
通过尼基福罗夫 - 乌瓦罗夫方法和半经典WKB近似获得能谱方程。已应用佩克里斯近似来解决求解势函数的非相对论波动方程的完整能谱时的困难。使用MATHEMATICA程序获得能谱的数值数据。