11/19/2019 Filed in: Publications
Xiaghai Sheng's paper on using the approximate projection (AP) model for calculating exchange coupling constants and spin crossover gaps using density functional theory has appeared in the Journal of Chemical Theory and Computation. This work also involved former postdoc, and current University of Louisville assistant professor, Lee Thompson. The paper is online at 10.1021/acs.jctc.9b00387. Congrats. Xianghai!