Effective one-electron equations for orbitals whose density represents that of the interacting electronic system. The effective potential contains nuclear attraction, Hartree repulsion and an exchange-correlation contribution.
Summing the Kohn-Sham equations over occupied normalized orbitals yields . The exact ground-state energy functional is , so subtraction proves the correction in the title. Nuclear or lattice source self-energies must be added consistently. This accounting does not turn all auxiliary orbital eigenvalues into physical excitation energies.
