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Argon (Ar, Z=18)
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
-525.9380 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -113.801260 | -3096.7144 |
| 2s | 2 | -10.794477 | -293.7350 |
| 2p | 6 | -8.443809 | -229.7695 |
| 3s | 2 | -0.883255 | -24.0348 |
| 3p | 6 | -0.382298 | -10.4029 |
