Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW
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DOI10.5281/zenodo.10636066Zenodo10636066MaRDI QIDQ6709485FDOQ6709485
Dataset published at Zenodo repository.
Denis Jacquemin, Denez Raimbault, Iryna Knysh, Xavier Blase, Ivan Duchemin
Publication date: 8 February 2024
Copyright license: Creative Commons Attribution 4.0 International
This data set is a part of Supporting Info for our work entitled Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW which is to be submitted to the Journal of Chemical Physics. In this data set, we provide the XYZ coordinates for the compounds studied in this work.
This page was built for dataset: Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW
