Modified Hartree-Fock Relationship to Calculate the Effective Energy of Atomic Sub-shells in Transition Elements

Abstract

In this study, the part in question of the total energy is that due to the mutual interactions between the electrons themselves, the fact that this is the total effective energy of sample electrons in shells and sub-shells. The result was that only 0.2564 of the total energy of the atom is divided between the individual electrons and the effective energy of each of them is proportional to the reciprocal of their occupation numbers i.e. 1/(n+2l+1)², the proportionality constant was fortunately equivalent to the effective nuclear charge (Z_eff) of the sub-shell type according to the studies done by both Slater and Clementi and Raimondi. The amazing news was that the algebraic sum of the effective energy for each electron was again very close to 0.2564 E_T.

Keywords: Hartree-Fock, Effective Energy of Atomic, Transition Elements