Shunsuke A. Sato

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Fluorine (F, Z=9)

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

-99.0948 a.u.

Electronic structure

state occupation εn (a.u.) εn (eV)
1s 2 -24.190039 -658.2497
2s 2 -1.086606 -29.5683
2p 5 -0.415430 -11.3045

Kohn-Sham orbitals of Fluorine atom
Electron dnesity of Fluorine atom
Potentials of Fluorine atom

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