CALCULATION OF LOW-ENERGY ELASTIC CROSS-SECTIONS FOR ELECTRON-CF4 SCATTERING

CALCULATION OF LOW-ENERGY ELASTIC CROSS-SECTIONS FOR ELECTRON-CF4 SCATTERING
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DOI:
10.1063/1.467237
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发表时间:
1994-05-01
影响因子:
4.4
通讯作者:
SANNA, N
SANNA, N
中科院分区:
化学2区
文献类型:
--
作者:
GIANTURCO, FA;LUCCHESE, RR;SANNA, N

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一种新的计算方法已被用来评估旋转总结,振动弹性积分截面从散射的慢电子(能量范围从1.0 eV到40.0 eV)的四氟甲烷分子在气相中。各种对称成分已被分析使用的精确静态交换近似,也包括一个非经验的,模型的极化电位采用之前由我们的小组。与早期的计算和现有的实验进行比较,使我们能够分配的对称性的形状共振在5-30 eV的能量区域,这是由实验看到的,也显示了本计算。
A new computational approach has been used to evaluate the rotationally summed, vibronically elastic integral cross sections from the scattering of slow electrons (energy ranging from 1.0 eV up to 40.0 eV) by tetrafluoromethane molecules in the gas phase. The various symmetry components have been analyzed using the exact static exchange approximation and also by including a nonempirical, model polarization potential employed before by our group. A comparison with earlier calculations and with existing experiments allows us to assign the symmetries of the shape resonances in the 5-30 eV energy region which are seen by experiments and are also shown by the present calculations.