Pseudopotential for Many-Electron 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 energies of helium, lithium, and berrylium atoms have been calculated. The other pseudopotential also proves to be capable of yielding reasonable and reliable ionization energies within the non-relativistic quantum mechanics framework.