Description
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 (https://wiki.fysik.dtu.dk/gpaw/) , and the atomic structures are created with the ASE code (https://wiki.fysik.dtu.dk/ase/) .
See README.md in the archive for a detailed description.
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| Landing page for the dataset | Unknown | Open resource |