Reggab Khalid
Materials Science and Informatics Laboratory, Faculty of Science, University of Djelfa, 17000, Djelfa, Algeria.
J Mol Model. 2024 Sep 30;30(10):358. doi: 10.1007/s00894-024-06143-4.
The Analyzing of energetic bond spectra of diatomic compounds is crucial to understanding their qualities because it allows one to evaluate their attributes. Diatoms compounds' spectral properties and bound energies are presented in this study. These energies are found by solving the Schrodinger equation while making consideration of the employing of the Kratzer Feus potential.
This study focuses on the calculation of bound states for diatomic molecules using the WKB approximation. The final energy spectrum equation is utilized to compute the bound states of specific diatomic molecules for varying quantum numbers n and l through the utilization of the Mathematica software. The method produced the desired and anticipated results, as shown by a comparison of the eigenvalue results with earlier studies.
分析双原子化合物的高能键光谱对于理解其性质至关重要，因为它能让人评估其属性。本研究展示了双原子化合物的光谱特性和结合能。这些能量是通过求解薛定谔方程并考虑采用克拉策 - 费斯势而得到的。
本研究着重于使用WKB近似来计算双原子分子的束缚态。通过利用Mathematica软件，利用最终的能谱方程来计算特定双原子分子在不同量子数n和l下的束缚态。将本方法的特征值结果与早期研究进行比较，结果表明该方法产生了预期和期望的结果。
