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.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
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~~
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
H2 molecular scattering
momentum transfer cross section
vibrational excitation
distributed spherical Gaussian polarization potential
