Calculation no. | Magnesium (Mg2+) (1s2-core) | Sulfur (S2-) (1s22s22p2-core) | No. of valence functions | Energy Gap (eV) |
I | 2s22p63p0 | 3s23p6 | 22 | 6.590 (Γ-L) |
II | 2s22p63p0 | 3s23p64p0 | 28 | 6.475 (Γ-L) |
III | 2s22p63p03s0 | 3s23p64p0 | 30 | 3.278 (Γ-X) |
IV | 2s22p63p03s0 | 3s23p64p04s0 | 32 | 3.337 (Γ-X) |
V | 2s22p63p03s04p0 | 3s23p64p04s0 | 38 | 3.370 (Γ-X) |
VI | 2s22p63p03s04p04s0 | 3s23p64p04s0 | 40 | 3.19 (Γ-X) |