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Phosphorus (P, Z=15)
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
-339.9399 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -76.062300 | -2069.7769 |
| 2s | 2 | -6.329011 | -172.2225 |
| 2p | 6 | -4.576320 | -124.5290 |
| 3s | 2 | -0.512483 | -13.9455 |
| 3p | 3 | -0.206283 | -5.6133 |
