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Van der Waals Potential and Vibrational Energy Levels of the Ground State Radon Dimer
Chemical Physics ( IF 2.0 ) Pub Date : 2017-06-30 00:00:00 , DOI: 10.1016/j.chemphys.2017.06.013 Xiaowei Sheng , Shifeng Qian , Fengfei Hu
Chemical Physics ( IF 2.0 ) Pub Date : 2017-06-30 00:00:00 , DOI: 10.1016/j.chemphys.2017.06.013 Xiaowei Sheng , Shifeng Qian , Fengfei Hu
In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.
中文翻译:
基态Rad二聚体的范德华力和振动能级
在本文中,Tang-Toennies势模型描述了Radon二聚体的基态Van der Waals势,该势模型需要五个基本参数。其中,两个色散系数C 6和C 8根据确定的色散系数C 6估算和C 8的Xe 2。C 10 通过使用近似方程来估算 所有稀有气体二聚体的平均值为1.221。利用这些估计的色散系数和确定好的井深D e和R eBorn-Mayer参数A和b派生。然后计算基态ra二聚体的振动能级。在Rn 2二聚体的基态下观察到40个振动能级。最后的振动能级仅受限于0.0012 cm -1。
更新日期:2017-06-30
中文翻译:
基态Rad二聚体的范德华力和振动能级
在本文中,Tang-Toennies势模型描述了Radon二聚体的基态Van der Waals势,该势模型需要五个基本参数。其中,两个色散系数C 6和C 8根据确定的色散系数C 6估算和C 8的Xe 2。C 10 通过使用近似方程来估算 所有稀有气体二聚体的平均值为1.221。利用这些估计的色散系数和确定好的井深D e和R eBorn-Mayer参数A和b派生。然后计算基态ra二聚体的振动能级。在Rn 2二聚体的基态下观察到40个振动能级。最后的振动能级仅受限于0.0012 cm -1。