Correction: Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance

Abstract

Correction for ‘Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance’ by Pascal Vermeeren et al., Phys. Chem. Chem. Phys., 2022, 24, 18028–18042, https://doi.org/10.1039/D2CP02234F.

In our paper the performance of 60 density functionals were assessed, including the range-separated hybrid functional ωB97X-D. We have identified a technical issue in the implementation of this functional, that is, the dispersion correction for ωB97X-D in the ADF software package. Therefore, the data for ωB97X-D in both Table 3 and 4 should be disregarded.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.