Data and code for "Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling"
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 |
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0 |
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http://data.europa.eu/88u/dataset/https-doi-org-10-5281-zenodo-3242317 |
Tags
- chalmers-university-of-technology
- time-dependent-density-functional-theory
- plasmon
- strong-coupling