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Chlorine (Cl, Z=17)
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
-458.6569 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -100.370222 | -2731.2343 |
| 2s | 2 | -9.188176 | -250.0250 |
| 2p | 6 | -7.040221 | -191.5757 |
| 3s | 2 | -0.754410 | -20.5287 |
| 3p | 5 | -0.320438 | -8.7196 |
