Total cross sections for the scattering of electrons from methane and chloromethanes at intermediate and high energies

Abstract

A complex optical model potential modified by incorporating the concept of bonde d atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is employed to calculate the total cross sect ions for electron scattering from methane and chloromethanes（CH4 , CCl4, CHCl3, CH2Cl2 and CH3Cl）over the incident energy r ange 30—5000eV by using additivity rule model at Hartree_Fock level. In the stu dy, the complex optical model potential composed of static, exchange, correlatio n polarization plus absorption contributions uses the bonded_atom concept. The quantitative molecular total cross_section results are compared with the experim ental data and other calculation results wherever available, and good agreement is obtained. It is shown that the additivity rule model together with the comple x optical potential model modified by incorporating the concept of bonded atom c an 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.