data/Readme.md

In ppernot/ErrView: Analysis of error sets

Bibliographic references for the datasets

• BOR2019: P. Borlido, T. Aull, A. W. Huran, F. Tran, M. A. Marques, and S. Botti (2019) J. Chem. Theory Comput. 15:5069–5079

• CAL2019: E. Caldeweyher, S. Ehlert, A. Hansen, H. Neugebauer, S. Spicher, C. Bannwarth, and S. Grimme (2019) J. Chem. Phys. 150:154122

• DAS2019: T. Das, G. Di Liberto, S. Tosoni, and G. Pacchioni (2019) J. Chem. Theory Comput. 15:6294–6312

• HAI2018: D. Hait and M. Head-Gordon (2018) J. Chem. Theory Comput. 14:1969-1981 (Removed global outliers H20-Li, H2O-F and H20-Cl)

• NAR2019: B. Narayanan, P. C. Redfern, R. S. Assary, and L. A. Curtiss (2019) Chem. Sci. 10:7449-7455

• PER2018: P. Pernot and A. Savin (2018) J. Chem. Phys. 148:241707

• THA2015: A. J. Thakkar and T. Wu (2015) J. Chem. Phys. 143:144302

• WU2015: T. Wu, Y. N. Kalugina, and A. J. Thakkar (2015) Chem. Phys. Letters 635:257–261

• ZAS2019: P. Zaspel, B. Huang, H. Harbrecht, and O. A. von Lilienfeld (2019) J. Chem. Theory Comput. 15:1546–1559

• ZHA2018: Y. Zhang, D.A. Kitchaev, J. Yang, J. et al. (2018) npj Comput Mater 4:9

ppernot/ErrView documentation built on Jan. 30, 2022, 6:59 a.m.