Electron scattering cross sections from HCN over a broad energy range (0.1-10 000 eV): Influence of the permanent dipole moment on the scattering process
Electron scattering cross sections from HCN over a broad energy range (0.1-10 000 eV): Influence of the permanent dipole moment on the scattering process
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DOI：
10.1063/1.4754661
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发表时间：
2012-09-28
影响因子：
4.4
通讯作者：
Garcia, G.
中科院分区：
文献类型：
--
作者：
Sanz, A. G.;Fuss, M. C.;Garcia, G.
我们报道了用两种从头算散射势方法计算氰化氢电子散射的理论积分和微分截面。对于低能(0.1-100 eV)，我们使用了对称适应的单中心展开方法，并使用了多通道散射公式。对于中高能(10-10000 eV)，我们应用了基于屏蔽校正的独立原子表象的光势方法。由于HCN是一个强极性分子，我们在一阶Born近似的框架下，通过对计算的K矩阵元素的空间固定参考系的变换，计算了进一步的偶极诱导激发。将计算结果与文献中的实验数据进行了比较，给出了从0.1 eV到10000 eV的完整的弹性、非弹性和总散射截面推荐值。(C)2012年美国物理研究所。[http://dx.doi.org/10.1063/1.4754661]
We report theoretical integral and differential cross sections for electron scattering from hydrogen cyanide derived from two ab initio scattering potential methods. For low energies (0.1-100 eV), we have used the symmetry adapted-single centre expansion method using a multichannel scattering formulation of the problem. For intermediate and high energies (10-10 000 eV), we have applied an optical potential method based on a screening corrected independent atom representation. Since HCN is a strong polar molecule, further dipole-induced excitations have been calculated in the framework of the first Born approximation and employing a transformation to a space-fixed reference frame of the calculated K-matrix elements. Results are compared with experimental data available in the literature and a complete set of recommended integral elastic, inelastic, and total scattering cross sections is provided from 0.1 to 10 000 eV. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4754661]