@ARTICLE{
author={Stepanovic Stepan M,Lai Rui,Elstner Marcus,Gruden Maja A,Garcia-Fernandez Pablo,Cui Qiang},
year={2020},
title={Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={22},
number={46},
pages={27084-27095},
document_type={Article},
}