Barrier height article published in Journal of Chemical Physics

The barrier height article is published in the Journal of Chemical Physics on January 6th, 2022. In this article, we studied PZSIC and LSIC performances on a large barrier height database set (BH76 set). The effects of self-interaction correction were investigated. Significant density-driven errors are found in the BH76 set of reactions, but we found the energy corrections due to SIC are equal to much larger than corrections stemming from densities.

The published article is found here: