This is a Python 3.8 script that permits to simulate TPD spectra and computed the BE prefactor.
This program used a python3 interface, to run this code you must install on your machine this list of packages:
numpypandasscipyasematplotlib
The presentation of all the funciton and code are inside the TPD_BE_examples_scipts.ipynb ipython notebook.
The TPD script is the TPD.py file.
Inside the lib.py file are present all the functions. If you want to ran the TPD_BE_examples_scipts.ipynb or TPD.py files on your PC you need to have the lib.py file in the same directory were you ranning the codes.
Please reffer to the following publication to cite our work or retrieve the info:
This project has received funding within the European Union’s Horizon 2020 research and innovation programme from the Marie Sklodowska-Curie for the project ”Astro-Chemical Origins” (ACO), grant agreement No 811312.