Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná, Brazil.
J Chem Phys. 2017 Apr 21;146(15):154302. doi: 10.1063/1.4981215.
In this work, we revisit the low-energy electron scattering by benzene. We employed the Schwinger multichannel method implemented with pseudopotentials to carry out systematic cross section calculations with different schemes of polarization for the resonant and the totally symmetric irreducible representations within the D symmetry group. We present integral and differential cross sections for incident electron energies up to 12 eV and discuss the shape resonances and the presence of a Ramsauer-Townsend minimum and a virtual state in the former. We also discuss the relation of these physical phenomena with the different schemes of the polarization effects employed in our calculations. Finally, the comparison of our calculated integral and differential cross sections with the available data from the literature suggests improvement in the agreement between theory and experiment.
在这项工作中，我们重新研究了苯的低能电子散射。我们采用带有赝势的 Schwinger 多通道方法，用 D 对称群中的共振和完全对称不可约表示的不同极化方案进行了系统的截面计算。我们给出了入射电子能量高达 12 eV 的积分和微分截面，并讨论了形状共振以及前一个中的拉姆萨尔-汤森德最小值和虚拟态的存在。我们还讨论了这些物理现象与我们计算中采用的不同极化方案之间的关系。最后，我们将计算得到的积分和微分截面与文献中可用的数据进行比较，表明理论与实验之间的一致性有所提高。
