Effective local potentials for orbital-dependent density functionals.

  title={Effective local potentials for orbital-dependent density functionals.},
  author={Viktor N Staroverov and Gustavo E. Scuseria and Ernest R. Davidson},
  journal={The Journal of chemical physics},
  volume={125 8},
Practicality of the Kohn-Sham density functional scheme for orbital-dependent functionals hinges on the availability of an efficient procedure for constructing local exchange-correlation potentials in finite basis sets. We have shown recently that the optimized effective potential (OEP) method, commonly used for this purpose, is not free from difficulties. Here we propose a robust alternative to OEPs, termed effective local potentials (ELPs), based on minimizing the variance of the difference… CONTINUE READING