Erratum: Charge transfer rate constants for the carotenoid-porphyrin-C60molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation (J. Chem. Phys. (2020) 153 (044105) DOI: 10.1063/5.0016160

Abstract

On p. 7 of the work, Fig. 6 and Table I were produced with the wrong frequencies that are different from the mapped spin-boson models depicted in Fig. 5. The corrected rate constants for three different transitions in two triad conformations are shown in Fig. 6 and Table I below. Now we see much smaller but noticeable quantum effects; in the case of the ππ∗ → CT1 transition in the bent conformation that falls in the inverted regime, the quantum mechanically exact FGR CT rate constant is about a factor of two larger than the classical Marcus theory result, whereas in the other five cases, that falls in the normal regime; almost no quantum enhancement of the CT rate constant is observed. The mapped spin-boson model for this system works remarkably well.