运用球高斯分布极化势研究低能电子与H_2分子碰撞的振动激发动量迁移散射截面  

Momentum transfer cross sections of low-energy electron scattering from H_2 molecule with the polarization potential using the distributed spherical Gaussian model

作　　者：王小炼[1,2] 冯灏[3] 孙卫国[1,3] 樊群超[3] 王斌[2] 曾阳阳[1] 

机构地区：[1]四川大学原子与分子物理研究所,成都610065 [2]四川大学材料科学与工程学院,成都610065 [3]西华大学物理与化学学院,先进计算研究中心,成都610039

出　　处：《物理学报》2011年第2期230-236,共7页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:10504022,10774105)资助的课题~~

摘　　要：用最近改进的球高斯分布(distributed spherical Gaussian,DSG)极化势模型,在振动密耦合框架下和基于量子力学从头计算的静电势、交换势的基础上,研究了低能电子与H2分子碰撞振动激发的动量迁移散射截面(momentumtransfer cross section,MTCS).通过包含18个振动波函数、5个分波和16个分子对称性,得到了0<E≤10eV时收敛性很好的ν=0→ν′=0,1,2,3等几个振动跃迁通道和总的MTCS,并与其他实验和理论得到的值进行了比较和分析.Based on the distributed spherical Gaussian （ DSG ） polarization potential model,the momentum transfer cross sections （MTCSs） of low-energy electron scattering from H2 molecule are studied with the body frame vibrational close coupling （BFVCC） method and vibrational scattering potentials. The vibrational scattering potentials include the static, exchange,and correlation-polarization contributions calculated based on ab initio method. By including the contributions of 18 Morse vibrational wave functions,5 partial waves,and 16 molecular symmetries,We obtained well converging MTCSs of ν=0→ν′= 0,1,2,3 transition excitations. The comparisons show that DSG polarization potential is a good approximation in the study of low energy electron scattering.

关 键 词：H2分子碰撞 动量迁移散射截面 振动激发 球高斯分布极化势 

分 类 号：O561.5[理学—原子与分子物理]