Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set

摘要

Our previous paper reports SAPT energies for the S22 data set presented in Figure 2 and Table S1 (in the Supporting Information). However, while the paper states that the SAPT results were obtained at the SAPT2+(3)/ aug-cc-pVTZ level of theory, the presented data correspond to the SAPT2+/aug-cc-pVDZ level of theory. The correct SAPT2+(3)/aug-cc-pVTZ data, corresponding to Sherrill group best values, modern PSI4 SAPT code with exchange scaling applied, are shown in Figure 1 and Table S1 in this Erratum.