Ishikawa Kiyoshi
Graduate School of Science, University of Hyogo, Ako-gun, Hyogo 678-1297, Japan.
J Chem Phys. 2023 Aug 14;159(6). doi: 10.1063/5.0161491.
The pseudopotentials and dispersion potentials are applied to a theoretical study of the hyperfine splitting frequencies of the ground-state paramagnetic hydrogen (H) and alkali-metal (Li, Na, K, Rb, and Cs) atoms in noble gases (He, Ne, Ar, Kr, and Xe). Using classical turning points for statistical averages, we find that numerical calculations based on second-order perturbation theory fit the measured frequency shifts well over a wide temperature range. The characteristic energy, pseudopotential height, and electric-dipole polarizability allow us to consistently determine the van der Waals radii and electron scattering lengths of noble-gas atoms. This study shows that the hyperfine splitting frequency of alkali-metal atoms is a good measure for investigating colliding partners.
将赝势和色散势应用于对基态顺磁性氢(H)原子以及碱金属(Li、Na、K、Rb和Cs)原子在稀有气体(He、Ne、Ar、Kr和Xe)中的超精细分裂频率的理论研究。利用经典转折点进行统计平均,我们发现基于二阶微扰理论的数值计算在很宽的温度范围内都能很好地拟合测量到的频移。特征能量、赝势高度和电偶极极化率使我们能够一致地确定稀有气体原子的范德华半径和电子散射长度。这项研究表明,碱金属原子的超精细分裂频率是研究碰撞伙伴的一个很好的量度。