The data includes the optical excitations of benzene, the optical spectra of coupled benzene-Al NP systems, and fits of the spectra to the coupled oscillator model. The optical spectra in question have been obtained in the dipolar coupling approximation and analyzed in the article "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling" by Jakub Fojt, Tuomas P. Rossi, Tomasz J. Antosiewicz, Mikael Kuisma and Paul Erhart.
Scripts for processing of the data, which extract optical spectra from NWChem output files, and fit optical spectra to the coupled oscillator model, are also included. The scripts are written in Python and require the packages NumPy, emcee, and h5py to be installed.
See README.md in the archive for a detailed description.