Shifts in fermi hole: individual zones analysis

Zones in the vicinity of the Fermi hole were studied for the 1𝑆22𝑆2 state over the atomic-number range 4 ≤ 𝑧 ≤ 12. Calculations were performed using the Hartree–Fock method. The results showed that the hole becomes narrower and deeper as the atomic number increases. The shift in the Fermi hole for neighboring elements in the series shows a significant shrinkage due to increasing nuclear charge. The investigation also revealed the existence of a second hole, and the results show that a shift occurs in this second hole as well. Similarly, the second hole decreased in size as the nuclear charge increased. Across the series, the shifts in both holes were reduced. In addition, the electron–electron repulsion energy was reported for each shell.