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

2022/09/01 by B. K. Sahoo, Sahoo, B. K. · 1 citation
Earth and Planetary Sciences · Physics and Astronomy · #Atom (system on chip) #Atomic Physics (physics.atom-ph) #Atomic and Molecular Physics #Atomic physics #Cluster (spacecraft) #Dipole #Elastic scattering #Electron #Electron scattering #FOS: Physical sciences #High-pressure geophysics and materials #Physics #Quadrupole #Quantum mechanics #Scattering #X-ray Spectroscopy and Fluorescence Analysis

paper · pdf · doi:10.48550/arxiv.2209.00221

openalex publication_date 2022/09/01 · openalex created_date 2022/09/03 · openalex updated_date 2026/08/06

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 (Vst) and exchange (Vex) potentials due to interactions of the scattered electron with the electrons of the atom and potentials due to polarization effects (Vpol) on the scattered electron by the atomic electrons. The Vst and Vex potentials for the e-A eSC problems can be constructed with the knowledge of electron density function of the atom, while the Vpol 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 Vpol accurately, we have evaluated the second- and third-order electric dipole and quadrupole polarizabilities in the linear response approach.

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