Improving the energies of approximate wave functions using the concepts of density functional theory

A simple method, derived from DFT, for improving the energy of a trial density is modified for the case of atoms. It is assumed that errors in the interelectronic repulsion are the only significant ones. The errors in the energies of single‐ζ Slater orbitals for the atoms from He to Ne are reduced an average factor of 21. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001