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| Beryllium Be2+ (valence electrons) | Oxygen O2− (valence electrons) | Wave functions 2Be2+ & 2O2− | Band gap (Γ-Γ) in eV |
| 1 | 1s22s02p0 | 2s22p6 | 36 | 10.630 |
| 2 | 1s22s02p03p0 | 2s22p6 | 48 | 10.296 |
| 3 | 1s22s02p03p04p0 | 2s22p6 | 60 | 10.300 |
| 4 | 1s22s02p03p04p04s0 | 2s22p6 | 64 | 9.182 |
| 5 | 1s22s02p03p04p0 | 2s22p63s0 | 64 | 7.58 |
| 6 | 1s22s02p03p04p0 | 2s22p63p0 | 72 | 9.388 (Indirect) |