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Silicon (Si, Z=14)
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
-288.1921 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -65.184563 | -1773.7763 |
| 2s | 2 | -5.074477 | -138.0846 |
| 2p | 6 | -3.514395 | -95.6323 |
| 3s | 2 | -0.398314 | -10.8388 |
| 3p | 2 | -0.153526 | -4.1777 |
