ELECTRONIC EXCITATION OF FORMALDEHYDE BY LOW-ENERGY ELECTRONS - A THEORETICAL-STUDY USING THE COMPLEX KOHN VARIATIONAL METHOD

被引:30
作者
RESCIGNO, TN [1 ]
LENGSFIELD, BH [1 ]
MCCURDY, CW [1 ]
机构
[1] OHIO STATE UNIV, DEPT CHEM, COLUMBUS, OH 43210 USA
来源
PHYSICAL REVIEW A | 1990年 / 41卷 / 05期
关键词
D O I
10.1103/PhysRevA.41.2462
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We report results of a fully ab initio treatment of electronic excitation in a polyatomic molecule by electron impact. We have calculated total and differential cross sections for exciting the two lowest (n*)1,3A2 excited states of H2CO for collision energies between 5 and 20 eV. The calculations were carried out in a three-state close-coupling approximation using the complex Kohn variational method. The absence of any backward peaking in the cross sections calculated for the A23 state is reminiscent of a rigorous selection rule for + - transitions in linear molecules. However, with no experimental studies available for comparison, the present results must be regarded as predictive. © 1990 The American Physical Society.
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页码:2462 / 2467
页数:6
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