Dataset for Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties
收藏DataCite Commons2024-02-26 更新2025-04-15 收录
下载链接：
https://www.materialsdatafacility.org/detail/tiihonen_forces_v1.3
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资源简介：
QMCPACK input and output files for forces of atoms and dimers used to derive scaling properties of statistical variance and computational cost as a function of the effective pseudopotential core charge. Postprocessing facilities to analyze the data in a reblocked tail regression estimator framework.
提供机构：
Materials Data Facility
创建时间：
2021-05-21
