Rare gas atomic number dependence of the hyperpolarizability for rare gas inserted fluorohydrides, HRgF ?Rg=He, Ar, and Kr…
writer：Zhen-Bo Liu, Zhi-Ru Li, Ming-Hui Zuo, Qing-Zhong Li, Fang Ma, Zong-Jun Li, G-h Chen, CC Sun
keywords：HRgF
source：期刊
Issue time：2009年
The three structures of rare gas inserted fluorohydrides HRgF Rg=He, Ar, and Kr with all real
frequencies are obtained at the QCISDT/aug-cc-pVTZ level. The static first hyperpolarizabilities
0 at the QCISD/aug-cc-pVQZ level are 8 a.u. HF, 384 a.u. HHeF, 737 a.u. HArF, and 465
a.u. HKrF.