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"Molecular-orbital-based Machine Learning for Open-shell and ..."
Lixue Cheng et al. (2022)
- Lixue Cheng, Jiace Sun, J. Emiliano Deustua, Vignesh C. Bhethanabotla, Thomas F. Miller III:
Molecular-orbital-based Machine Learning for Open-shell and Multi-reference Systems with Kernel Addition Gaussian Process Regression. CoRR abs/2207.08317 (2022)
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