中国物理B ›› 2005, Vol. 14 ›› Issue (1): 120-127.doi: 10.1088/1009-1963/14/1/022

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A modification potential method for electron scattering total cross section calculations on several molecules at 30-5000eV

施德恒, 孙金锋, 朱遵略, 刘玉芳   

  1. Department of Physics, Henan Normal University, Xinxiang,453007, China
  • 收稿日期:2004-06-08 修回日期:2004-09-02 出版日期:2005-01-20 发布日期:2005-01-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 10174019).

A modification potential method for electron scattering total cross section calculations on several molecules at 30-5000eV

Shi De-Heng (施德恒), Sun Jin-Feng (孙金锋), Zhu Zun-Lue (朱遵略), Liu Yu-Fang (刘玉芳)   

  1. Department of Physics, Henan Normal University, Xinxiang 453007, China
  • Received:2004-06-08 Revised:2004-09-02 Online:2005-01-20 Published:2005-01-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 10174019).

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摘要： A complex optical model potential modified by incorporating the concept of bonded atom which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule is employed to calculate the total cross sections for electron scattering in such molecules as N$_{2}$, NO, NO$_{2}$, CH$_{4}$, CF$_{4}$, CF$_{3}$H, C$_{2}$H$_{2}$ and C$_{2}$H$_{4}$ at 30--5000eV using the additivity rule model at Hartree--Fock level. The quantitative total cross sections are compared with those obtained in experiments and other theories, wherever available, and good agreement is obtained at 30--5000eV. It is shown that the modified calculation results are much closer to the available experimental data than the unmodified ones at lower energies, especially below 500eV. Therefore,considering the overlapping effect of electron clouds in the complex optical model potential could be helpful for better calculation results about electron scattering total cross sections from molecules.

关键词: total cross section, additivity rule, atomic and molecular collision

Abstract: A complex optical model potential modified by incorporating the concept of bonded atom which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule is employed to calculate the total cross sections for electron scattering in such molecules as N$_{2}$, NO, NO$_{2}$, CH$_{4}$, CF$_{4}$, CF$_{3}$H, C$_{2}$H$_{2}$ and C$_{2}$H$_{4}$ at 30--5000eV using the additivity rule model at Hartree--Fock level. The quantitative total cross sections are compared with those obtained in experiments and other theories, wherever available, and good agreement is obtained at 30--5000eV. It is shown that the modified calculation results are much closer to the available experimental data than the unmodified ones at lower energies, especially below 500eV. Therefore,considering the overlapping effect of electron clouds in the complex optical model potential could be helpful for better calculation results about electron scattering total cross sections from molecules.

Key words: total cross section, additivity rule, atomic and molecular collision

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  • 3480