Constructing Electron-Atom Elastic Scattering Potentials using Relativistic Coupled-Cluster Theory: A few case studies

TL;DR

This paper develops a method to construct electron-atom elastic scattering potentials using relativistic coupled-cluster theory, enabling accurate calculation of scattering cross-sections for various atoms.

Contribution

It introduces a novel approach combining RCC-derived electron densities and polarizabilities to build scattering potentials for low-energy electron-atom interactions.

Findings

Constructed potentials for Be, Mg, Ne, Ar atoms.

Calculated electric polarizabilities using RCC methods.

Demonstrated the potential's effectiveness in scattering calculations.

Abstract

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.