中国物理B ›› 2008, Vol. 17 ›› Issue (6): 2090-2096.doi: 10.1088/1674-1056/17/6/025
张金平1, 施德恒2, 孙金锋3, 朱遵略3, 刘玉芳3, 杨向东4
Shi De-Heng(施德恒)a) b)†, Zhang Jin-Ping(张金平)a), Sun Jin-Feng(孙金锋)b),Zhu Zun-Lüe(朱遵略)b), Liu Yu-Fang(刘玉芳)b), and Yang Xiang-Dong(杨向东)c)
摘要: This paper reports that the interaction potential for the X3\Si- state of NH radical is constructed at the CCSD(T)/ cc-PV6Z level of theory. Using this potential, this paper calculates the spectroscopic parameters ($D_{\e}$, $R_{\e}$, \textit{$\omega $}$_{\e}$, \textit{$\omega $}$_{\e}$\textit{$\chi $}$_{\e}$, \textit{$\alpha $}$_{\e}$ and $B_{\e})$ and their values are of 3.578\,eV, 0.10368\,nm, 3286.833\,cm-1, 78.433\,cm-1, 0.6469\,cm-1 and 16.6735\,cm-1, respectively, which are in excellent agreement with the experiments. Then the total of 14 vibrational states has been found when $J$=0 by solving the radial Schr\"{o}dinger equation of nuclear motion. For each vibrational state, the vibrational manifolds are reported for the first time. And last, the total cross sections, s-wave, p-wave and d-wave cross sections are computed for the elastic collisions between two ground-state atoms (hydrogen and nitrogen) at low temperatures. It finds that the total elastic cross sections are dominated by s-wave scattering when the collision energy is below 10-6a.u. The pronounced shape resonance is found at energy of 6.1$\times $10-6a.u. Calculations have shown that the shape resonance comes from the p-wave contributions.
中图分类号: (Elastic scattering)