Assessing the accuracy of excited-state geometries through optimal tuning of TD-DFT with GW
收藏Zenodo2024-02-08 更新2026-04-07 收录
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https://zenodo.org/doi/10.5281/zenodo.10636066
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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.
提供机构：
Nantes Université; Institut Universitaire de France; CEA Grenoble; Institut Néel
创建时间：
2024-02-08
