@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},
} 

@ARTICLE{
author={Vujovic Milena,Huynh Mioy,Steiner Sebastian,Garcia-Fernandez Pablo,Elstner Marcus,Cui Qiang,Gruden Maja A},
year={2019},
title={Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model},
journal={JOURNAL OF COMPUTATIONAL CHEMISTRY},
volume={40},
number={2},
pages={400-413},
document_type={Article},
} 

@ARTICLE{
author={Gruden Maja A,Andjelkovic Ljubica D,Jissy Akkarapattiakal Kuriappan,Stepanovic Stepan M,Zlatar Matija S,Cui Qiang,Elstner Marcus},
year={2017},
title={Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules},
journal={JOURNAL OF COMPUTATIONAL CHEMISTRY},
volume={38},
number={25},
pages={2171-2185},
document_type={Article},
}