English

Improved Slater approximation to SIC-OEP

Other Condensed Matter 2009-11-13 v2

Abstract

We propose a simplification of the Optimized Effective Potential (OEP) applied to the Self Interaction Correction (SIC) scheme of Density Functional Theory (DFT). The new scheme fulfills several key formal properties and turns out to be both simple and accurate. We show examples of applications on model molecules in terms of observables known to be especially sensitive to details of the SIC-OEP approach.

Keywords

Cite

@article{arxiv.0804.0681,
  title  = {Improved Slater approximation to SIC-OEP},
  author = {J. Messud and P. M. Dinh and P. -G. Reinhard and E. Suraud},
  journal= {arXiv preprint arXiv:0804.0681},
  year   = {2009}
}

Comments

3 figures

R2 v1 2026-06-21T10:27:39.528Z