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Relativistic treatment of alkaline earth dimers in the presence of non-central molecular potential in N-dimensions
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 X1Σg+ ground state of 24Mg2,40Ca2,24Mg40Ca and A1Σu+ excited state of 88Sr2 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X1个ΣG+24的基态24022440一种1个Σü+ 的兴奋状态 88r2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。

更新日期:2020-12-24
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