title: Effective local potentials for orbital-dependent density functionals.
abstract: 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 between a given nonlocal potential and its desired local counterpart. The ELP method is applied to the exact-exchange-only problem and shown to be promising for overcoming troubles with OEPs.
authors.affiliation: Department of Chemistry, Rice University, Houston, TX 77005, USA.
authors.forename: Viktor N
authors.initials: VN
authors.lastname: Staroverov
authors.forename: Gustavo E
authors.initials: GE
authors.lastname: Scuseria
authors.forename: Ernest R
authors.initials: ER
authors.lastname: Davidson