Raw data for: "Gradients of ground and excited states for CC2 and ADC(2) in polarizable continuum and atomistic embeddings within a generalized PTED coupling scheme"
收藏Zenodo2025-04-21 更新2026-04-07 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.15254097
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资源简介：
The dataset contains the structures, input files, and the output files with the original data for the publication "Gradients of ground and excited states for CC2 and ADC(2) in polarizable continuum and atomistic embeddings within a generalized PTED coupling scheme" by Christof Hättig and Ansgar Pausch.
提供机构：
Ruhr University Bochum; Vrije Universiteit Amsterdam
创建时间：
2025-04-21
