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Boron (B, Z=5)
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
-24.3432 a.u.
Electronic structure
| state | occupation | εn (a.u.) | εn (eV) |
|---|---|---|---|
| 1s | 2 | -6.563910 | -178.6145 |
| 2s | 2 | -0.344911 | -9.3856 |
| 2p | 1 | -0.136791 | -3.7223 |
