Credits#
rhodent is primarily developed at the Department of Physics of Chalmers University of Technology in Gothenburg, Sweden with funding from the Knut och Alice Wallenbergs Foundation and the Swedish Research Council, as well as computational support from the National Academic Infrastructure for Supercomputing in Sweden. The main contributors are Jakub Fojt, Tuomas Rossi and Paul Erhart.
rhodent is based on code devoloped as part of several publications. If you use the following methods in your research please cite the following papers:
Pulse convolution and calculation of dipole moments, induced density, energies and hot carriers:
Hot-Carrier Transfer across a Nanoparticle–Molecule Junction: The Importance of Orbital Hybridization and Level Alignment
J. Fojt, T. P. Rossi, M. Kuisma, and P. Erhart, Nano Letters 22, 8786 (2022) doi:10.1021/acs.nanolett.2c02327Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure
T. P. Rossi, P. Erhart, and M. Kuisma, ACS Nano 14, 9963 (2020) doi:10.1021/acsnano.0c03004
Kohn-Sham decomposition of transition contribution maps (TCMs):
Kohn–Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations
T. P. Rossi, M. Kuisma, M. J. Puska, R. M. Nieminen, and P. Erhart, Journal of Chemical Theory and Computation 13, 4779 (2017) doi:10.1021/acs.jctc.7b00589
rhodent is based on Python3 and invokes functionality from the Python libraries listed below. To support the development of free-and-open-source-software, please make sure to give proper credit to these packages when citing rhodent as well.