Insititute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China.
J Chem Phys. 2012 Jul 14;137(2):024301. doi: 10.1063/1.4732539.
Single ionization of the methane (CH(4)) 1t(2) orbital by 54 eV electron impact has been studied experimentally and theoretically. The measured triple differential cross sections cover nearly a 4π solid angle for the emission of low energy electrons and a range of projectile scattering angles. Experimental data are compared with theoretical calculations from the distorted wave Born approximation and the molecular three-body distorted wave models. It is found that theory can give a proper description of the main features of experimental cross section only at smaller scattering angles. For larger scattering angles, significant discrepancies between experiment and theory are observed. The importance of the strength of nuclear scattering from the H-nuclei was theoretically tested by reducing the distance between the carbon nuclei and the hydrogen nuclei and improved agreement with experiment was found for both the scattering plane and the perpendicular plane.
甲烷（CH(4))1t(2)轨道的单电离由 54eV 电子碰撞进行了实验和理论研究。测量的三重微分截面几乎覆盖了低能电子发射的 4π 立体角和一系列弹丸散射角。实验数据与扭曲波玻恩近似和分子三体扭曲波模型的理论计算进行了比较。结果发现，理论只能在较小的散射角下对实验截面的主要特征进行适当的描述。在较大的散射角下，实验和理论之间存在显著差异。通过减小碳原子和氢原子核之间的距离，从理论上测试了核散射强度对 H 核的重要性，并且在散射平面和垂直平面上都发现了与实验的更好一致性。
