DATASET - A Real-Space, Regularization-Invariant Metric for Density-Functional Error: A Proof of Concept on Fundamental Diatomics
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资源简介：
Proof of concept of a gauge-free, regularization-invariant real-space metric to audit spatial errors in Density Functional Approximations (DFA).
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Zenodo创建时间：
2026-08-05
