Density-consistent effective potential (DCEP) method article accepted for publication

2021-7-27:
Our recent work titled "Self-interaction corrected Kohn-Sham effective potentials using the density-consistent effective potential method" is accepted for publication on the Journal of Chemical Physics.
In this article, we adapted and implemented the density-consistent effective potential (DCEP) method of Kohut, Ryabinkin, and Staroverov to obtain self-interaction corrected local effective potentials from the self-interaction corrected Fermi-Löwdin orbitals and density in the FLOSIC scheme. This approach provides accurate estimate of the photoelectron spectra and the experimental ionization potentials and the first excitation energies (via HOMO and LUMO eigenvalues).

Preprint version of this article is available on arXiv: https://arxiv.org/abs/2107.13631

The article to be appear on the Journal of Chemical Physics.

Published article: https://aip.scitation.org/doi/full/10.1063/5.0056561