Singh Suvam, Gupta Dhanoj, Antony Bobby, Tudorovskaya Maria, Tennyson Jonathan
Atomic and Molecular Physics Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, JH 826004, India.
Plasma Technology Research Center, National Fusion Research Institute, 37 Dongjangsan-ro, Gunsan, Jeollabuk-do 54004, South Korea.
J Phys Chem A. 2020 Sep 3;124(35):7088-7100. doi: 10.1021/acs.jpca.0c05589. Epub 2020 Aug 19.
UK molecular R-matrix calculations have been carried out for electron scattering from anthracene and pyrene. These molecules belong to the family of polycyclic hydrocarbons (PAHs) and are found in a nebula known as the Red Rectangle. Static exchange (SE), static exchange plus polarization (SEP), and close coupling (CC) approximations are used for scattering calculations. Different elastic and inelastic cross sections are computed in the present work in the energy range of 0.1-15 eV. Dissociative electron attachment cross sections are also calculated for both the molecules. Various shape, Feshbach/core-excited, and mixed resonances are detected for these molecules below 10 eV. All of the resonances detected in the present study are in agreement with the existing experimental and theoretical results. Due to the complexity of the present targets, electron collision cross sections are essentially unknown and hence most of the results are presented for the first time.
英国已对蒽和芘的电子散射进行了分子R矩阵计算。这些分子属于多环芳烃（PAH）家族，存在于一个名为红矩形星云的天体中。散射计算采用了静态交换（SE）、静态交换加极化（SEP）和密耦（CC）近似方法。在本研究中，计算了0.1 - 15 eV能量范围内不同的弹性和非弹性截面。还计算了这两种分子的解离电子附着截面。在10 eV以下检测到了这些分子的各种形状、费什巴赫/芯激发和混合共振。本研究中检测到的所有共振都与现有的实验和理论结果一致。由于当前目标的复杂性，电子碰撞截面基本未知，因此大部分结果都是首次呈现。
