Core-Polarization and Relativistic Effects in Electron Affinity Calculations for Atoms: A Complex Angular Momentum Investigation

TL;DR

This study investigates how core-polarization and relativistic effects influence electron affinity calculations for certain atoms using a complex angular momentum approach, highlighting the significance of relativistic contributions especially for heavy atoms.

Contribution

It introduces a complex angular momentum method incorporating electron-electron correlations and core polarization to accurately compute atomic electron affinities, including relativistic effects.

Findings

Relativistic effects contribute up to 3.6% for At's electron affinity.

Core-polarization interactions significantly impact low-energy electron scattering.

The method aligns well with experimental and advanced theoretical results.

Abstract

Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the vital electron-electron correlations is used. The core-polarization effects are studied through the well investigated rational function approximation of the Thomas-Fermi potential,which can be analytically continued into the complex plane. The EAs are extracted from the large resonance peaks in the calculated low-energy electron atom scattering total cross sections and compared with those from measurements and sophisticated theoretical methods. It is concluded that when the electron-electron correlation effects and core polarization interactions are accounted for adequately the importance of relativity on the calculation of the electron affinities of atoms can be assessed. For At, relativistic effects are estimated to contribute a maximum of about 3.6 percent to its (non-relativistic) calculated electron affinity.