Sheng Xiaowei, Toennies J Peter, Tang K T
Department of Physics, Anhui Normal University, Anhui, Wuhu 241000, China.
Max-Planck-Institut für Dynamik und Selbstorganisation, Am Fassberg 17, D-37077, Göttingen, Germany.
Phys Rev Lett. 2020 Dec 18;125(25):253402. doi: 10.1103/PhysRevLett.125.253402.
An analytical model for the potential between two rare gas atoms at distances between R=0 to R→∞ is assumed to be conformal with the previously published potential for He_{2} [J. Chem. Phys. 142, 131102 (2015)JCPSA60021-960610.1063/1.4916740]. The potential curves of the rare gas dimers all have the same shape and only depend on the well parameters D_{e} and R_{e}. The potentials and the vibrational levels for the 11 homonuclear and heteronuclear dimers for which recent ab initio calculations are available agree, within several percent, with the ab initio results. For the other rare gas dimers, the new potential provides the first realistic estimates for the potentials.
假设两个稀有气体原子在距离(R = 0)到(R→∞)之间的势能分析模型与先前发表的(He_{2})势能[《化学物理杂志》142, 131102 (2015)JCPSA60021 - 960610.1063/1.4916740]共形。稀有气体二聚体的势能曲线都具有相同的形状，并且仅取决于阱参数(D_{e})和(R_{e})。对于最近有从头算结果的11种同核和异核二聚体，其势能和振动能级与从头算结果在百分之几的范围内相符。对于其他稀有气体二聚体，新的势能提供了势能的首次实际估计。
