Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Sichuan, People's Republic of China.
J Chem Phys. 2010 Feb 21;132(7):074303. doi: 10.1063/1.3317406.
The entire ground state potential energy curve of the strontium dimer is accurately described by the Tang-Toennies potential model defined by the three dispersion coefficients and two well parameters. The predicted vibrational frequency, anharmonicity, and vibration-rotation coupling constant are in excellent agreement with experiment. The Sr(2) reduced potential is almost identical to that of Ca(2) and Hg(2), providing further evidence to the conjecture that the van der Waals dimer potentials of group IIA and group IIB elements have the same shape, which is different from that of rare-gas dimers. The potentials of Sr-RG complexes (RG=He,Ne,Ar,Kr,Xe) are generated by the same potential model with its parameters calculated with combining rules. These potentials are shown to have the same shape which is between that of the strontium and rare-gas dimers.
锶二聚体的整个基态势能曲线可以通过由三个色散系数和两个势阱参数定义的 Tang-Toennies 势能模型精确描述。预测的振动频率、非谐性和振动-转动耦合常数与实验非常吻合。Sr(2)的简化势能与 Ca(2)和 Hg(2)几乎相同，进一步证明了 IIA 和 IIB 族元素的范德华二聚体势能具有相同的形状，这与稀有气体二聚体不同。Sr-RG 复合物（RG=He,Ne,Ar,Kr,Xe）的势能由相同的势能模型生成，其参数通过组合规则计算。这些势能具有相同的形状，介于锶和稀有气体二聚体之间。
