中高能电子被氟代甲烷散射的总截面计算

利用可加性规则,使用Hartree-Fock 波函数,采用被束缚原子概念修正过的复光学势,首次在100～5 000eV内对电子被具有较多电子数的氟代甲烷分子散射的总截面进行了计算,且将计算值与实验值及经验公式进行了比较,得出了被束缚原子概念修正过的复光学势可成功用于"电子-氟代甲烷"散射总截面计算的结论;研究了"电子-氟代甲烷"的散射总截面与目标分子总电子数及电子入射能量间的关系,初步分析了结构因子与总电荷数相关的原因,并指出了对复光学势进行进一步修正时应遵循的原则.

Total cross sections for elastic scattering of electrons from fluoromethanes in the intermediate and high energy range

A model complex optical potential rewritten by the conception of bonded atom, which considers the overlapping effect of electron clouds, is firstly employed to calculate the total cross sections for electron scattering from fluoromethanes (CF4, CF3H, CF2H2 and CFH3) at 100～5 000 eV by the use of additivity rule at Roothaan-Hartree-Fock level. The qualitative total cross section results are compared with previously published experimental data and semiempirical values and good agreement is obtained. It is shown that the additivity rule along with the complex optical potential model rewritten by the conception of bonded atom can successfully calculate the total cross sections for e-fluoromethane scattering system. At the same time, the relationships between the total cross sections and the charge number of an atom, and between the total cross sections and the structural factor are studied.