Theoretical triple-differential cross sections of a methane molecule by a proper-average method

被引:36
作者
Chaluvadi, Hari [1 ]
Ning, C. G. [2 ,3 ]
Madison, Don [1 ]
机构
[1] Missouri Univ Sci & Technol, Rolla, MO 65409 USA
[2] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China
[3] Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China
来源
PHYSICAL REVIEW A | 2014年 / 89卷 / 06期
基金
美国国家科学基金会; 中国国家自然科学基金;
关键词
ELECTRON-IMPACT IONIZATION; STATES;
D O I
10.1103/PhysRevA.89.062712
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
For the last few years, our group has calculated cross sections for electron-impact ionization of molecules using the molecular three-body distorted-wave approximation coupled with the orientation-averaged molecular orbital (OAMO) approximation. This approximation was very successful for calculating ionization cross sections for hydrogen molecules and to a lesser extent nitrogen molecules. Recently we used the approximation to calculate single ionization cross sections for the 1t(2) state of methane (CH4) and we found major discrepancies with the experimental data. Here we investigate the validity of the OAMO approximation by calculating cross sections that have been properly averaged over all molecular orientations. These calculations with proper averages are in much better agreement with experiment than the OAMO calculations.
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页数:7
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