Rupp, Matthias Theory, Fritz Haber Institute, Max Planck Society;
1812.08576.pdf (Preprint), 5MB
1.5086105.pdf (Publisher version), 6MB
Stuke, A., Todorović, M., Rupp, M., Kunkel, C., & Ghosh, K. (2019). Chemical diversity in molecular orbital energy predictions with kernel ridge regression. The Journal of Chemical Physics, 150(20): 204121. doi:10.1063/1.5086105.