Density functional theory using an optimized exchange-correlation potential

@inproceedings{Grabo1995DensityFT,
  title={Density functional theory using an optimized exchange-correlation potential},
  author={Tobias Grabo},
  year={1995}
}
  • Tobias Grabo
  • Published 1995
We have performed self-consistent calculations for first and second row atoms using a variant of density-functional theory, the optimized effective potential method, with an approximation due to Krieger, Li and Iafrate and a correlationenergy functional developed by Colle and Salvetti. The mean absolute deviation of first-row atomic ground-state energies from the exact non-relativistic values is 4.7 mH in our scheme, as compared to 4.5 mH in a recent configurationinteraction calculation. The… CONTINUE READING