Published June 10, 2019
| Version v1
Dataset
Open
Data and code for "Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling"
- 1. Chalmers University of Technology, Sweden
- 2. University of Warsaw, Poland
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, and the atomic structures are created with the ASE code.
See README.md in the archive for a detailed description.
Files
dataset.zip
Files
(4.0 MB)
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md5:3c06b6b0e791d8c92227eb180e6e42dc
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Additional details
Related works
- Is supplement to
- Preprint: arXiv:1904.02097 (arXiv)
- Journal article: 10.1038/s41467-019-11315-5 (DOI)