Chemical Physics ( IF 2.3 ) Pub Date : 2020-12-18 , DOI: 10.1016/j.chemphys.2020.111078 Aysen Durmus , Aysel Özfidan
Within the framework of relativistic theory, N-dimensional non-central Morse potential as anharmonic model is considered thoroughly to describe the internuclear motion of alkaline earth dimers in the different electronic states. We illustrate the surface plots of alkaline earth dimers to examine the effect of angular potential, due to existence of molecular systems in which spherical symmetry disappears. Also, the contribution of angle dependent interaction to the relativistic energy spectra has been investigated in N-dimensions. We determine the relativistic vibrational transition frequencies in the lower vibrational states for the ground state of 24 and excited state of alkaline earth diatomic molecules. The theoretical results have been compared with Rydberg-Klein-Rees (RKR) and the inverted perturbation approach (IPA) experimental data. We also discussed the validity of Pekeris approximation around the equilibrium distance as well as the repulsive and attractive regions for alkaline earth dimers.
中文翻译:
N维非中心分子势存在下碱土二聚体的相对论处理
在相对论理论的框架内,N维非中心莫尔斯电势作为非谐模型被彻底地描述了不同电子状态下碱土二聚体的核间运动。由于存在球形对称性消失的分子系统,我们举例说明了碱土二聚体的表面图,以检查角电位的影响。同样,已经在N维中研究了角度依赖性相互作用对相对论能谱的贡献。我们确定了较低振动状态下的相对论振动跃迁频率24的基态 和 的兴奋状态 碱土双原子分子。将理论结果与Rydberg-Klein-Rees(RKR)和反向摄动法(IPA)实验数据进行了比较。我们还讨论了平衡距离附近的Pekeris逼近的有效性以及碱土二聚体的排斥区和吸引区。