Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW (Q6709485)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW |
Dataset published at Zenodo repository. |
Statements
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.
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8 February 2024
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