DATA_Influence_of_atomistic_features

The dataset includes the numerical data presented in J. Chem Phys. 161 (2024); "Influence of atomistic features in plasmon-exciton coupling and charge transfer driven by a single molecule in a metallic nano cavity", written by Bruno Candelas, Nerea Zabala, Peter Koval, Anton Babaze, Daniel Sánchez-Portal, and Javier Aizpurua (doi: 10.1063/5.0216464). The dataset is organized into folders according to the explanation in the README file, and each folder contains .txt files of the data for each of the figures indicated on its name, together with README instructions on each case.