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Accurate Potential Energy Surfaces Using Atom-Centered Potentials and Minimal High-Level Data
We demonstrate that a Δ-density functional theory (Δ-DFT) approach based on atom-centered potentials (ACPs) represents a …
Mahsa Nazemi Ashani, Qinan Huang, A. Mackenzie Flowers, Alex Brown, Antoine Aerts, Alberto Otero-de-la-Roza^*, and Gino A. DiLabio^*
DOI