论文标题
使用相对论耦合群集理论构建电子原子弹性散射电位：一些案例研究
Constructing Electron-Atom Elastic Scattering Potentials using Relativistic Coupled-Cluster Theory: A few case studies
论文作者
论文摘要
考虑到在实验室和天体物理过程中观察到的低能散射现象中，电子对原子的影响极大的兴趣，我们在这里开出了一种使用相对论耦合群集（RCC）理论来确定电子（E-A ATOM（E-A）弹性散射横截面（ESC）的方法。电子的净潜力被原子弹性散射，可方便地表示为静态（$ v_ {st} $）和交换（$ v_ {ex} $）的电位，这是由于散射电子与原子的电子和势能相互作用而引起的，并且由于散射的电子和电位所引起的电位（$ v_ {pol} $）。 $ v_ {st} $和$ v_ {ex} $可以通过了解原子的电子密度函数来构建E-A ESC问题的电位，而$ v_ {pol} $可以使用原子的极化能力获得$ v_ {pol} $。在这项工作中，我们使用RCC方法的两个变体介绍了BE，MG，NE和AR原子的电子密度和电偏极化。使用这些数量，我们为E-A ESC问题构建了潜力。为了准确获取$ v_ {pol} $，我们已经评估了线性响应方法中的二阶和三阶电偶极子和四极极化。
In view of immense interest to understand impact of an electron on atoms in the low-energy scattering phenomena observed in laboratories and astrophysical processes, we prescribe here an approach to construct potentials using relativistic coupled-cluster (RCC) theory for the determination of electron-atom (e-A) elastic scattering cross-sections (eSCs). The net potential of an electron, scattered elastically by an atom, is conveniently expressed as sum of static ($V_{st}$) and exchange ($V_{ex}$) potentials due to interactions of the scattered electron with the electrons of the atom and potentials due to polarization effects ($V_{pol}$) on the scattered electron by the atomic electrons. The $V_{st}$ and $V_{ex}$ potentials for the e-A eSC problems can be constructed with the knowledge of electron density function of the atom, while the $V_{pol}$ potential can be obtained using polarizabilities of the atom. In this work, we present electron densities and electric polarizabilties of Be, Mg, Ne and Ar atoms using two variants of the RCC method. Using these quantities, we construct potentials for the e-A eSC problems. For obtaining $V_{pol}$ accurately, we have evaluated the second- and third-order electric dipole and quadrupole polarizabilities in the linear response approach.
