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甲硫醇的低能电子弹性碰撞截面
王克栋*,孟举
作者单位E-mail
王克栋* 南京大学化学化工学院理论与计算化学研究介观化学教育部重点实验室210093河南师范大学物理与电子工程学院新乡453007 wangkd@htu.cn 
孟举 河南师范大学物理与电子工程学院新乡453007  
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:
基金项目:
Elastic Low-Energy Electron Collisions with Methanethiol
Ke-dong Wang*,Ju Meng
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