Onate C A, Okon I B, Vincent U E, Eyube E S, Onyeaju M C, Omugbe E, Egharevba G O
Department of Physical Sciences, Redeemer's University, Ede, Nigeria.
Theoretical Physics Group, Department of Physics, University of Uyo, Uyo, Nigeria.
Sci Rep. 2022 Sep 7;12(1):15188. doi: 10.1038/s41598-022-19179-4.
A shifted Morse potential model is modified to fit the study of the vibrational energies of some molecules. Using a traditional technique/methodology, the vibrational energy and the un-normalized radial wave functions were calculated for the modified shifted Morse potential model. The condition that fits the modified potential for molecular description were deduced together with the expression for the screening parameter. The vibrational energies of SiC, NbO, CP, PH, SiF, NH and Cs molecules were computed by inserting their respective spectroscopic constants into the calculated energy equation. It was shown that the calculated results for all the molecules agreement perfectly with the experimental RKR values. The present potential performs better than Improved Morse and Morse potentials for cesium dimer. Finally, the real Morse potential model was obtained as a special case of the modified shifted potential.
一种移位莫尔斯势模型被修改以适用于某些分子振动能量的研究。使用传统技术/方法，针对修改后的移位莫尔斯势模型计算了振动能量和未归一化的径向波函数。推导了适合用于分子描述的修改势的条件以及屏蔽参数的表达式。通过将SiC、NbO、CP、PH、SiF、NH和Cs分子各自的光谱常数代入计算出的能量方程，计算了它们的振动能量。结果表明，所有分子的计算结果与实验RKR值完美吻合。对于铯二聚体，当前的势比改进的莫尔斯势和莫尔斯势表现更好。最后，得到了真实的莫尔斯势模型作为修改后移位势的一个特殊情况。
