Correction: Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes

Abstract

Correction for ‘Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes’ by Beatrix M. Bold et al., Phys. Chem. Chem. Phys., 2020, 22, 10500–10518, https://doi.org/10.1039/C9CP05753F.

Non-adiabatic molecular dynamics simulations provide new insights into the exciton transfer in the Fenna–Matthews–Olson complex

“…ref. 26 and 121. The range between the lowest and highest site energies increases when the specific pigment environment is included in the calculation.…”

“…Only the strongest coupling pairs were considered, namely 1–2, 2–3, 3–4, 4–5, 5–6, 6–7 and 4–7. The other non-nearest neighbor couplings are clearly smaller; 25–27,121 see also Table S3 in the ESI †. The reference values were calculated using the same MD trajectory as for the site energies.…”