Data and code for "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling"

Research datakeyboard_double_arrow_right Dataset 01 Jan 2021 Finland English Publisher:ZenodoFunded by:VR | unidentified, kawforskning | unidentified, AKA | Plasmonic nanocatalysts f... +1 projects

Authors: Fojt, Jakub; Rossi, Tuomas P; Antosiewicz, Tomasz J; Kuisma, Mikael; Erhart, Paul;

doi: 10.5281/zenodo.4095510 , 10.5281/zenodo.4095509 , 10.5281/zenodo.4501057

Data and code for "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling"

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Abstract

The data includes the optical excitations of benzene, the optical spectra of coupled benzene-Al NP systems, and fits of the spectra to the coupled oscillator model. The optical spectra in question have been obtained in the dipolar coupling approximation and analyzed in the article "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling" by Jakub Fojt, Tuomas P. Rossi, Tomasz J. Antosiewicz, Mikael Kuisma and Paul Erhart. Scripts for processing of the data, which extract optical spectra from NWChem output files, and fit optical spectra to the coupled oscillator model, are also included. The scripts are written in Python and require the packages NumPy, emcee, and h5py to be installed. See README.md in the archive for a detailed description.

Country

Finland

Related Organizations

Aalto University
Finland
Chalmers University of Technology
Sweden
University of Jyväskylä
Finland
University of Warsaw
Poland

Keywords

dipolar coupling, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Biophysics, Inorganic Chemistry, benzene, Space Science, strong coupling, nanoparticles, silver, Physical Sciences not elsewhere classified, Neuroscience, Biotechnology, Biological Sciences not elsewhere classified

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