摘要
A model complex optical potential rewritten by the conception of bonded atom, which considers the overlapping effect of electron cloud, is employed to calculate the total (elastic + inelastic) cross sections with simple molecules (N2, O2, NO2, NO, N2O) consisting of N & O atoms over an incident energy range of 100 - 1600 eV by the use of additivity rule at Roothaan-Hartree-Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses bonded-atom conception. The qualitative results are compared with experimental data and other calculations wherever available and good agreement is obtained. The total cross sections of electron-molecule scattering above 100 eV can be successfully calculated.
A model complex optical potential rewritten by the conception of bonded atom, which considers the overlapping effect of electron cloud, is employed to calculate the total (elastic + inelastic) cross sections with simple molecules (N2, O2, NO2, NO, N2O) consisting of N & O atoms over an incident energy range of 100 - 1600 eV by the use of additivity rule at Roothaan-Hartree-Fock level. In the study, the complex optical potential composed of static, exchange, correlation polarization plus absorption contributions firstly uses bonded-atom conception. The qualitative results are compared with experimental data and other calculations wherever available and good agreement is obtained. The total cross sections of electron-molecule scattering above 100 eV can be successfully calculated.
基金
This work was supported by the National Natural Science Foundation of China under Grant No.10174019.
