Article ID Journal Published Year Pages File Type
5389943 Chemical Physics Letters 2006 5 Pages PDF
Abstract
Considering the changes of the geometric shielding effect in a molecule as the incident electron energy varies, an empirical fraction, which is dependent on the incident electron energy and the target molecular dimension, is presented. Using this empirical fraction, the total cross section for electron scattering by relatively larger molecule H2S (which contains relatively larger atom, sulfur) and complex polyatomic molecule C2F6 (which contains eight atoms) are calculated over the energy range 30-5000 eV based on the additivity rule model at Hartree-Fock level. The quantitative total cross sections are compared with those obtained by experiments and other theories wherever available, and good agreement is attained.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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