Associative detachment, dissociative attachment, and vibrational excitation of HCl by low-energy electrons

被引:50
作者
Cízek, M
Horácek, J
Domcke, W
机构
[1] Charles Univ Prague, Fac Math & Phys, Dept Theoret Phys, CR-18000 Prague 8, Czech Republic
[2] Univ Dusseldorf, Inst Theoret Chem, D-40225 Dusseldorf, Germany
来源
PHYSICAL REVIEW A | 1999年 / 60卷 / 04期
关键词
D O I
10.1103/PhysRevA.60.2873
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
An improved nonlocal resonance model for electron-HCl collisions is constructed. The model takes account of the dependence of the dipole-modified threshold exponent on the internuclear distance. The long-range part of the HCl- potential-energy function has been determined from the most accurate ab initio calculations which are available. Only the s-wave component of the electronic continuum wave function is taken into account. Cross sections for vibrational excitation, dissociative attachment, and associative detachment have been calculated. For all three collision processes, the cross sections calculated with this model are in better agreement with experiment than previous calculations. The calculations reproduce very well even fine details of the threshold structures in the vibrational excitation cross sections of HCl. [S1050-2947(99)03809-3].
引用
收藏
页码:2873 / 2881
页数:9
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