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Elastic Low-Energy Electron Collisions with Methanethiol
Ke-dong Wang*,Ju Meng
Author NameAffiliationE-mail
Ke-dong Wang* Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, ChinaSchool of Physics and Electronical Engineering, Henan Normal University, Xinxiang 453007, China wangkd@htu.cn 
Ju Meng School of Physics and Electronical Engineering, Henan Normal University, Xinxiang 453007, China  
Abstract:
We report ab initio scattering calculations results of electron-methanethiol collisions using R-matrix approach within the static-exchange and static-exchange-polarization approximations. The calculated elastic integral cross sections are in agreement with the experimental data. Two shape resonances of 2A' symmetry located at 4.06 and 8.32 eV are detected within static-exchange-polarization model. For this dipole molecule, Born-closure procedure was used to account for the higher partial waves (l>4) for the convergence of the cross section. The effective collision frequencies over a wide electron temperature range (200?30000 K) are calculated using the data of the momentum-transfer cross section.
Key words:  Elastic integral cross sections, Differential cross section, Shape resonance
FundProject:
甲硫醇的低能电子弹性碰撞截面
王克栋*,孟举
摘要:
使用R-matrix方法在静态交换和静态交换加极化两种模型下研究电子-甲硫醇的弹性散射.计算的弹性散射截面与已有的实验结果符合的很好.静态交换极化模型探测到了两个具有2A'对称性的形 状共振态,能量位置分别在4.06和8.32 eV.通过波恩修正,用更高的分波l>4获得了收敛的截面.还使用计算的动量转移截面数据计算了200~30000 K的高效电子碰撞频率.
关键词:  弹性散射截面,微分截面,形状共振
DOI:10.1063/1674-0068/28/cjcp1505094
分类号: