Ita Benedict I, Louis Hitler, Ubana Emmanuel I, Ekuri Philemena E, Leonard Chinedu U, Nzeata Nelson I
Physical and Quantum Chemistry Research Group, Department of Pure and Applied Chemistry, Faculty of Physical Sciences, University of Calabar, Calabar, P.M.B 1115, Nigeria.
Department of Computer Science, Faculty of Physical Sciences, University of Calabar, Calabar, P.M.B 1115, Nigeria.
J Mol Model. 2020 Nov 24;26(12):349. doi: 10.1007/s00894-020-04593-0.
We have obtained analytically the bound state solutions for the non-relativistic Schrodinger equation for the Eckart plus inversely quadratic Yukawa potential (EIQYP) using the parametric Nikiforov-Uvarov (NU) method. In order to validate our approximation, the bound state energies were computed and predicted for some selected diatomic molecules at different adjustable screening parameters from the available spectroscopic model parameters. The fact-finding obtained are in agreement with previously reported results available in literature. Furthermore, the graphs of the effective potential against inter-nuclear distance for low and high values of the screening parameters were reported. From our graphs, we observed that the approximation is best fit for very low values of the screening parameter α ≪ 1.
我们使用参数化的尼基福罗夫 - 乌瓦罗夫（NU）方法，通过解析得到了埃卡特加反平方汤川势（EIQYP）的非相对论薛定谔方程的束缚态解。为了验证我们的近似，根据可用的光谱模型参数，在不同的可调屏蔽参数下计算并预测了一些选定双原子分子的束缚态能量。所得到的实际结果与文献中先前报道的结果一致。此外，还给出了屏蔽参数的低值和高值情况下有效势与核间距的关系图。从我们的图中可以观察到，对于非常低的屏蔽参数α≪1，该近似拟合效果最佳。
