Data for the study: "Variational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional"
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下载链接：
https://zenodo.org/record/8116399
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资源简介：
This set of files contains the raw data generated by the study titled:
"Variational principle to regularize machine-learned density functionals: the non-interacting kinetic-energy functional"
Contains:
- A set of Jupyter Notebooks to analyzed the data and produce the figures presented in the paper.
- runs: Contains the training and validation scripts for each of the systems studied in this work. Also holds the model weights and validation data.
Three folders are found: Hchain, noninteracting and Atoms.
- datasets: Holds all the datasets generated and employed in this work.
创建时间：
2023-07-06
