2026-10-12 https://api.researchdata.se/oai-pmh

oai:researchdata.se:doi-10-5281-zenodo-3242317/0 2021-08-26 subject:ssif:103 subject:ssif:1 principal:slug:chalmers-university-of-technology

info:eu-repo/semantics/other http://purl.org/dc/dcmitype/Dataset https://doi.org/10.5281/zenodo.3242317 Data and code for "Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling" https://orcid.org/0000-0002-8713-4559 https://orcid.org/0000-0002-4266-3721 https://orcid.org/0000-0002-2516-6061 https://orcid.org/0000-0003-2535-4174 Physical Sciences Fysik 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. info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/ Chalmers University of Technology Chalmers tekniska högskola 2019-06-10T00:00:00Z eng