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中国物理学会期刊

运用球高斯分布极化势研究低能电子与H2 分子碰撞的振动激发动量迁移散射截面

CSTR: 32037.14.aps.60.023401

Momentum transfer cross sections of low-energy electron scattering from H2 molecule with the polarization potential using the distributed spherical Gaussian model

CSTR: 32037.14.aps.60.023401
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  • 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(momentum transfer 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0E≤10 eV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.

     

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