[Back to Periodic Table]
Carbon (C, Z=6)
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
-37.4243 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -9.947861 | -270.6972 |
| 2s | 2 | -0.500974 | -13.6323 |
| 2p | 2 | -0.199300 | -5.4233 |
