A modification potential method of calculating total cross sections of electrons scattering from complex molecules C2H6, C2F6,C6H6 and C6F6 at 100eV--5000eV
Shi De-Heng (施德恒)ab, Sun Jin-Feng (孙金锋)ab, Zhu Zun-Lue (朱遵略)ab, Liu Yu-Fang (刘玉芳)a, Yang Xiang-Dong (杨向东)b
a College of Physics & Engineering Information, Henan Normal University, Xinxiang 453007, China; b Institute of Atomic and Molecular Physics, Sichuan University,Chengdu 610065, China
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 first employed to calculate the total cross sections for electrons scattering from such complex molecules as C$_{2}$H$_{6}$, C$_{2}$F$_{6}$, C$_{6}$H$_{6}$ and C$_{6}$F$_{6}$ using the additivity rule model at Hartree--Fock level over the energy range from 100 eV to 5000 eV. The total cross sections are quantitatively compared with those obtained by experiments wherever available, and they are in good agreement with each other over a wide energy range. It is shown that the modified potential together with the additivity rule model is completely suitable for the calculation of total cross sections of electrons scattering from such complex molecules as C$_{2}$H$_{6}$, C$_{2}$F$_{6}$, C$_{6}$H$_{6}$ and C$_{6}$F$_{6}$ above 200 eV--300 eV.
Received: 10 November 2005
Revised: 30 November 2005
Accepted manuscript online:
PACS:
34.10.+x
(General theories and models of atomic and molecular collisions and interactions (including statistical theories, transition state, stochastic and trajectory models, etc.))
Fund: Project supported by the National Natural Science Foundation of China (Grant No 10574039).
Cite this article:
Shi De-Heng (施德恒), Sun Jin-Feng (孙金锋), Zhu Zun-Lue (朱遵略), Liu Yu-Fang (刘玉芳), Yang Xiang-Dong (杨向东) A modification potential method of calculating total cross sections of electrons scattering from complex molecules C2H6, C2F6,C6H6 and C6F6 at 100eV--5000eV 2006 Chinese Physics 15 1278
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