LE&QR

Published: 17 August 2021| Version 1 | DOI: 10.17632/dfx4b9dy2y.1
Contributor:
Pallavi Bhattacharyya

Description

The dataset consists of 45144 D1-D2-A models, characterized by the energy gap and the electronic coupling (J) between D1 and D2 and the frequency and Huang-Rhys factor (\Sigma) of the intramolecular vibrational mode serving as a vibronic ratchet. The dataset contains the calculated values of the acceptor yields at 1 ps (A_1ps) for each of these models.

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