氨和磷化氢在大能量范围内的电子碰撞

Ahlam Yassee, Ahmed Basil
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引用次数: 0

摘要

NH3和PH3分子在15 ~ 500 eV的氨和5 ~ 500 eV的磷化氢能量范围内实现了电子弹性散射的微分截面。使用单个Hartree-Fock分子功能中心使用描述目标分子的部分波形进行计算。所使用的势包括从量子计算中获得的常数部分,以及相关、极化和势交换等微妙的效应,该模型的结果清楚地显示了交换的作用,以及相关和极化的贡献,特别是在低散射角和入射能量下。将所得的微分截面与大量实验数据进行了比较,结果吻合较好。整个散射角度和功率范围都在这里检查http://dx.doi.org/10.31257/2018/JKP/2022/140208
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Electron collision with Ammonia and phosphine at wide range of energies
The NH3 and PH3 molecules achieve differential electron elastic scattering cross-sections for energies ranging from 15 eV to 500 eV for ammonia and from 5 to 500 eV for phosphine. Calculations are performed using partial waveforms describing the target molecule using a single Hartree-Fock Molecular Function Center. The potentials used include a constant part—numerically obtained from quantum computation in addition to subtle effects such as correlation, polarization, and potential exchange,  results of this model clearly show the role of the exchange, as well as the contributions of correlation and polarization, especially at low scattering angles and incident energies. The differential cross-sections obtained were compared with a large amount of experimental data from the research, and good agreement was found. Throughout the scattering angles and power ranges examined here. http://dx.doi.org/10.31257/2018/JKP/2022/140208
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