A Modified Potential Method for Electrons Scattering Total Cross SectionCalculations on Several Molecules at 30~5000 eV: CF4, CCl4, CFCl3,CF2Cl2, and CF3Cl

MA Heng, SHI De-Heng,, SUN Jin-Feng, LIU Yu-Fang, andZHU Zun-Lue

Communications in Theoretical Physics ›› 2006, Vol. 45 ›› Issue (04) : 697-703.

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Communications in Theoretical Physics ›› 2006, Vol. 45 ›› Issue (04) : 697-703.

A Modified Potential Method for Electrons Scattering Total Cross SectionCalculations on Several Molecules at 30~5000 eV: CF4, CCl4, CFCl3,CF2Cl2, and CF3Cl

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Abstract

A complex optical model potential modified by 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 (TCSs) for electrons scattering from several molecules (CF4, CCl4, CFCl3, CF2Cl2, and CF3Cl) over an incident energy range 30~5000 eV using the additivity rule model at Hartree-Fock level. The quantitative TCSs are compared with those obtained by experiments and other theories wherever available, and good agreement is obtained above 100 eV. It is shown that the modified potential can successfully calculate the TCSs of electron-molecule scattering over a wide energy range, especially at lower energies.

Key words

total cross section / additivity rule / atomic and molecular collision

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MA Heng, SHI De-Heng, SUN Jin-Feng, et al. A Modified Potential Method for Electrons Scattering Total Cross SectionCalculations on Several Molecules at 30~5000 eV: CF4, CCl4, CFCl3,CF2Cl2, and CF3Cl[J]. Communications in Theoretical Physics, 2006, 45(04): 697-703
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