DOE OSTI · 2004105
Accurate hellmann-feynman forces with optimized atom-centered gaussian basis sets .
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Pathak, Shivesh, Rackers, Joshua, Ignacio, Ema Lopez, Rafael, Lopez Fernandez, Lee, Alex J, Bricker, William P, Lehtola, Susi. 2022-07-01. Accurate hellmann-feynman forces with optimized atom-centered gaussian basis sets .. https://doi.org/10.2172/2004105
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