中国物理B ›› 2004, Vol. 13 ›› Issue (7): 1018-1024.doi: 10.1088/1009-1963/13/7/009

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Total cross sections for scattering of electrons from O2, H2O, H2, O3, CO and CO2 at 100－2000eV

朱遵略1, 刘玉芳1, 杨向东2, 孔金锋3, 施德恒4   

  1. (1)Department of Physics, Henan Normal University, Xinxiang 453002, China; (2)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; (3)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; Department of Physics, Henan Normal University, Xinxiang 453002, China; (4)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; Department of Physics, Henan Normal University, Xinxiang 453002, China; Department of Foundation, The First Aeronautical College of Air Force, Xinyang 464000, China
  • 收稿日期:2003-09-09 修回日期:2004-02-01 出版日期:2004-07-05 发布日期:2005-07-05
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 10174019).

Total cross sections for scattering of electrons from O2, H2O, H2, O3, CO and CO2 at 100－2000eV

Shi De-Heng (施德恒)abc, Sun Jin-Feng (孔金锋)ab, Yang Xiang-Dong (杨向东)a, Zhu Zun-Lue (朱遵略)b, Liu Yu-Fang (刘玉芳)b   

  1. a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; b Department of Physics, Henan Normal University, Xinxiang 453002, China; c Department of Foundation, The First Aeronautical College of Air Force, Xinyang 464000, China
  • Received:2003-09-09 Revised:2004-02-01 Online:2004-07-05 Published:2005-07-05
  • 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 rewritten by the concept of bonded atom, which considers the overlap of electron clouds, is employed to calculate the total cross sections for electron scattering from several simple molecules (O_2, H_2O, H_2, O_3, CO and CO_2) consisting of C, H and O atoms in an incident energy range of 100－2000eV by the use of the additivity rule at Hartree－Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses the bonded-atom concept. The quantitative molecular total cross section results are compared with experimental data and with the other calculations wherever available and good agreement is obtained. It is shown that the additivity rule along with the complex optical model potential rewritten by the concept of bonded atom can be used successfully to calculate the total cross section of electron－molecule scattering above 100eV, whereas the rule together with the complex optical model potential not rewritten by the concept of bonded atom is only successfully used above 300－500eV. So, the introduction of the bonded-atom concept in the complex optical potential can improve the accuracy of the total cross section calculations.

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

Abstract: A complex optical model potential rewritten by the concept of bonded atom, which considers the overlap of electron clouds, is employed to calculate the total cross sections for electron scattering from several simple molecules (O$_2$, H$_2$O, H$_2$, O$_3$, CO and CO$_2$) consisting of C, H and O atoms in an incident energy range of 100－2000eV by the use of the additivity rule at Hartree－Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses the bonded-atom concept. The quantitative molecular total cross section results are compared with experimental data and with the other calculations wherever available and good agreement is obtained. It is shown that the additivity rule along with the complex optical model potential rewritten by the concept of bonded atom can be used successfully to calculate the total cross section of electron－molecule scattering above 100eV, whereas the rule together with the complex optical model potential not rewritten by the concept of bonded atom is only successfully used above 300－500eV. So, the introduction of the bonded-atom concept in the complex optical potential can improve the accuracy of the total cross section calculations.

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

中图分类号:  (Electron and positron scattering)

  • 34.80.-i
31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)