Code for "Hot-carrier transfer across a nanoparticle-molecule junction: The importance of orbital hybridization and level alignment"

This upload includes the codes and input scripts for reproducing the analysis presented in the article "Hot-carrier transfer across a nanoparticle-molecule junction: The importance of orbital hybridization and level alignment" by Jakub Fojt, Tuomas P. Rossi, Mikael Kuisma, and Paul Erhart.

The codes reproduce the data of the article provided at doi:10.5281/zenodo.6524101

See README.md in the upload for a detailed description.

The title and description of this software correspond with the situation when the software metadata was imported to ACRIS. The most recent version of metadata is available in the original repository.