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首页> 外文期刊>The European physical journal, D. Atomic, molecular, and optical physics >Electron impact ionization of the outer valence orbital 1t(2) of CH4
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Electron impact ionization of the outer valence orbital 1t(2) of CH4

机译：CH4的外部价轨道1T（2）的电子碰撞电离

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摘要

The electron impact single ionization of the outer valence orbital 1t(2) of methane is investigated theoretically within a Sturmian approach. Using an expansion on a basis set of Generalized Sturmian Functions, all with correct asymptotic behavior, the ionization scattering amplitude is extracted directly from the expansion coefficients without the need of calculating a transition matrix element. Triple differential cross sections are obtained for several coplanar asymmetric geometries, and are compared with two sets of relative experimental data (incident energy of 500 eV and 250 eV). An absolute scale comparison with other available theoretical models is also presented, and the binary-to-recoil ratio, experimental and theoretical, is analyzed as a function of the momentum transfer. Like other theoretical results, ours reproduce only partially the experimentally observed cross sections features. Important differences in the position and height of the recoil peak, in particular, clearly indicate an agreement breakdown between the measurements and the presently available theories including ours. Finally, for an incident energy of 250 eV, ejected energy of 30 eV and a scattering angle of -20 degrees, we predict a double peak structure in the cross section binary region, which is a clear signature of the p-nature of the molecular orbital.
机译：理论上，在讽刺的方法中，从理论上研究了甲烷外部价轨道1T（2）的电子冲击单电离。在基础集的广义讽刺功能上使用扩展，所有具有正确的渐近行为，电离散射幅度直接从膨胀系数提取，而不需要计算转换矩阵元件。为几个共面不对称几何形状获得三差分横截面，并与两组相对实验数据（500eV和250eV的入射能）进行比较。还提出了与其他可用理论模型的绝对比较，并作为动量转移的函数分析了二进制 - 反冲比，实验和理论。与其他理论结果一样，我们的实际观察到的横截面特征仅繁殖。特别是Recoil峰的位置和高度的重要差异明确表明测量和目前可用的理论之间的协议崩溃。最后，对于250eV的入射能，喷射能量为30eV和散射角度-20度，我们预测横截面二进制区域中的双峰结构，这是分子的p-uype的清晰签名轨道。

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