Improved Slater approximation to SIC-OEP

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.

3 figures

References in corpus (1)

• A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation

Cited by in corpus (10)

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• The Generalized SIC-OEP formalism and the Generalized SIC-Slater approximation (stationary and time-dependent cases)
• Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals
• Self-interaction corrected Kohn-Sham effective potentials using the density-consistent effective potential method