R-matrix calculations of differential and integral cross sections for low-energy electron collisions with ethanol
R-matrix calculations of differential and integral cross sections for low-energy electron collisions with ethanol
复制标题
DOI：
10.1140/epjd/e2012-30200-8
复制
发表时间：
2012-08
期刊：
影响因子：
--
通讯作者：
M. M. Fujimoto-M.;W. Brigg;J. Tennyson
中科院分区：
文献类型：
--
作者：
M. M. Fujimoto-M.;W. Brigg;J. Tennyson
用几种理论模型研究了电子与C2H5OH的碰撞，能量可达10 eV。计算的微分截面表明，用来扩展实验数据从而给出积分截面的小角度外推大大低估了大的偶极驱动的前向散射截面。提出了一组改进的旋转未解弹性截面的取值，并给出了相应的旋转未解截面。静态交换和极化计算发现，在7 eV对撞区的2A‘和2A“对称性中，每个对称性都有非常宽的形状共振，但在较低的能量下没有共振，这与一些但不是所有解离电子附着测量的解释定性一致。
Electron collisions with C2H5OH are studied up to impact energies of 10 eV using several theoretical models. Calculated differential cross sections suggest that the extrapolation to low angles used to extend experimental data and hence give integral cross sections significantly underestimates the large, dipole-driven forward scattering cross section. An improved set of values for the rotationally-unresolved elastic cross section is proposed; the corresponding rotationally resolved cross sections are also presented. Static exchange plus polarisation calculations find a very broad shape resonance in each of the2A′ and2A′′ symmetries in the 7 eV collision region however no resonance at lower energies, in qualitative agreement with the interpretation of some but not all dissociative electron attachment measurements.