低能电子与CO分子碰撞散射的从头计算

AB INITIO STUDY OF LOW-ENERGY ELECTRON SCATTERING FROM CO

低能电子与ＣＯ分子碰撞的散射截面是含ＣＯ的等离子体模拟中的重要物理数据［１］。这方面的散射研究一直是人们高度关注的重要课题［１－４］。本文用线性代数散射方法［５］对ｅ与ＣＯ的散射进行了研究。用作者建立的基于从头计算的可调绝热极化势（ＭＡＰ）和严格的静电－交换散射势精确地研究了ＣＯ的积分散射截面，获得的共振峰与实验结果符合得很好。

n modified adiabatic polarization (MAP) potential is proposed to study the low-energy electron scattering from CO milecule. The MAP potential includes all multipole polarization contributions except that the monopole term is adjusted to correct its nonphysical behavior when re<r. The resonance peak of the integrated crass sections so obtained agrees well to experimental value.