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
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
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.
Received: 09 September 2003
Revised: 01 February 2004
Accepted manuscript online:
(Calculations and mathematical techniques in atomic and molecular physics)
Fund: Project supported by the National Natural Science Foundation of China (Grant No 10174019).
Cite this article:
Shi De-Heng (施德恒), Sun Jin-Feng (孔金锋), Yang Xiang-Dong (杨向东), Zhu Zun-Lue (朱遵略), Liu Yu-Fang (刘玉芳) Total cross sections for scattering of electrons from O2, H2O, H2, O3, CO and CO2 at 100－2000eV 2004 Chinese Physics 13 1018
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