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Oxygen (O, Z=8)
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
-74.4695 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -18.758892 | -510.4595 |
| 2s | 2 | -0.871211 | -23.7071 |
| 2p | 4 | -0.338298 | -9.2056 |
