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)