Abstract
One-electron energies which approximate proper atomic electron-removal energies are constructed by post-hoc correction of bare local-spin-density–approximation eigenvalues (which are poor approximations to ionization potentials). The corrections give the proper atomic H limit, come decently close to the self-interaction–corrected eigenvalues, and only require quantities generated in routine self-consistent-field local-spin-density calculations.
- Received 23 August 1985
DOI:https://doi.org/10.1103/PhysRevLett.56.881
©1986 American Physical Society

