Shunsuke A. Sato

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Hydgrongen (H, Z=1)

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

-0.4459 a.u.

Electronic structure

state occupation εn (a.u.) εn (eV)
1s 1 -0.233662 -6.3583

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

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