January 2023

Two SIC articles accepted for publication

Submitted by yyamamoto on Sat, 01/28/2023 - 23:38

Two articles from the electronic structure research lab are accepted for publication on the Journal of Chemical Physics this month.

"Spin-state Gaps and Self-Interaction-Corrected Density Functional Approximations: Octahedral Fe(II) Complexes as Case Study": this article investigates the effect of self-interaction errors on spin crossover (SCO) systems.
https://doi.org/10.1063/5.0133999