Pseudopotential for Many-Electron Atoms

TL;DR

This paper introduces two parameter-free pseudopotentials for multi-electron atoms, enabling near-exact calculations of ionization potentials and improving understanding of electron correlation effects in atomic systems.

Contribution

It proposes two novel pseudopotentials that facilitate accurate, parameter-free modeling of multi-electron atoms' ionization potentials within non-relativistic quantum mechanics.

Findings

Near-exact ionization potentials for helium, lithium, and beryllium achieved.

Pseudopotentials yield reliable results within non-relativistic framework.

Method enhances understanding of electron correlation in atoms.

Abstract

Electron-electron correlation forms the basis of difficulties encountered in multi-electron systems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an effort to tackle this multi-electron problem, two complementary parameter-free pseudopotentials for $n$-electron atoms are suggested in this study. Using one of the pseudopotentials, near-exact values of the groundstate ionization potentials of helium, lithium, and berrylium atoms have been calculated. The other pseudopotential also proves to be capable of yielding reasonable and reliable ionization potentials within the non-relativistic quantum mechanics framework.