Data and code for "Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling"

The data includes atomic structures, time-dependent dipole moments, and photoabsorption spectra of the systems modeled and analyzed in the article "Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling" by Tuomas P. Rossi, Timur Shegai, Paul Erhart, and Tomasz J. Antosiewicz. The input scripts for reproducing the data are also included. The time-dependent density-functional theory calculations use the LCAOTDDFT module of the GPAW code, and the atomic structures are created with the ASE code. See README.mdOpens in a new tab in the archive for a detailed description.