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Magnesium (Mg, Z=12)
Basic properties are computed by the atom-DFT program (atom_dft) based on the density functional theory with the local-density approximation [J. P. Perdew and Alex Zunger, Phys. Rev. B 23, 5048 (1981)].
Total energy
-199.1329 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | 45.973183 | -1251.0039 |
| 2s | 2 | -2.903002 | -78.9953 |
| 2p | 6 | -1.718272 | -46.7569 |
| 3s | 2 | -0.175671 | -4.7803 |
