Improving the Energies of Approximate Wave Functions Using the Concepts of Density Eunctional Theory

摘要

A simple method, derived from DFT, for improving the energy of a trial density of modified for case of atoms. IT is assumed that errors in the interelectronic repulsion are the only significant ones. The errors in the energies of single-#zeta# Slater orbitals for the atoms from He to Ne are reduced an average factor of 21