Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW
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资源简介：
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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Zenodo创建时间：
2024-02-16
