Benchmark data comparison DFT vs TB3
收藏DataCite Commons2022-09-19 更新2024-07-29 收录
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https://figshare.com/articles/dataset/Benchmark_data_comparison_DFT_vs_TB3/21158905
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资源简介：
detailed data in support of https://github.com/usnistgov/ThreeBodyTB.jl/ https://arxiv.org/abs/2112.11585 <br> Contains comparison of DFT and tight binding for elastic and band structure data, as well at atomization energies.
提供机构：
figshare
创建时间：
2022-09-19
