AB Initio Studies of Electron and Positron Scattering from Non-Linear Molecules

摘要

During a period of three years, several important developments and calculationswere made on the electron-molecule scattering. We presented rotationally elastic, inelastic and summed cross sections for electron scattering with several polyatomic molecules (CH4, SiH4, GeH4, H2O, H2S and NH3) in a highly sophisticated close-coupling non-empirical theory. Exchange effects were included exactly, while polarization corrections were considered approximately but without involving any fitting parameter. Results were compared with measurements where such data were available. No previous theoretical investigation is available on these molecules in such detail and energy range. (AN).