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

TL;DR

This paper corrects a previous study on pericyclic reaction benchmarks and computational methods.

Contribution

The paper provides corrections to prior computational benchmarks and analysis of DFT performance.

Findings

Identified errors in the original benchmark data for pericyclic reactions.

Updated computational results targeting CCSDT(Q)/CBS accuracy.

Re-evaluated DFT performance based on corrected data.

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.