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物理学报 2005
Total cross sections for the scattering of electrons from methane and chloromethanes at intermediate and high energies
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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 from methane and chloromethanes(CH 4 , CCl 4 , CHCl 3 , CH 2 Cl 2 and CH 3 Cl)over the incident energy range 30-)5000eV by using additivity rule model at Hartree-)Fock level. In the study, the complex optical model potential composed of static, exchange, correlation polarization plus absorption contributions uses the bonded-)atom concept. The quantitative molecular total cross-)section results are compared with the experimental data and other calculation results wherever available, and good agreement is obtained. It is shown that the additivity rule model together with the complex optical potential model modified by incorporating the concept of bonded atom can give better results than that unmodified. So, the introduction of the bonded-)atom concept in the complex optical model potential improves the accuracy of the total cross-)section calculation results of electrons from molecules.