Correction for ‘Increasing ion yield circular dichroism in femtosecond photoionisation using optimal control theory’ by Manel Mondelo-Martell et al., Phys. Chem. Chem. Phys., 2022, 24, 9286–9297, https://doi.org/10.1039/D1CP05239J.
The authors have detected two issues in the numerical simulations reported in the originally published version of the article. First, the values of the electric and magnetic transition moments, obtained from quantum chemistry calculations were not sufficiently converged. Second, there was a mistake in the implementation of the rotational averaging in the model. After fixing these errors and choosing an improved optimisation functional, new simulations yield quantitatively different results. However, the physical mechanisms of the optimised pulses identified in the original paper remain valid. Here, the authors summarise the origin of the errors in the original publication and present newly converged energies, permanent and transition moments, as well as corrected figures and conclusions. Specifically, Tables 1 and 2 in the original article have been replaced with the corresponding tables in this correction, and Fig. 2–5 in the original article by Fig. 1–4 in this correction respectively. The authors also introduce and explain the new functional that has been used to optimise the pulse.
