Potentail Energy Curves of Diatomic Oxygen: DFT/DM21m vs DFT/wB97XV

This is a supplementary material for the paper

Paper title: Employing Neural Density Functionals to generate Potential Energy diagrams

Potentail Energy Curves of Diatomic Oxygen:

DFT/DM21/ccpvDz vs DFT/hybrid/ccpvDz

Competitive accuracy of ML functionals :

Radar chart shows the error in computed values w.r.t CCSDT

diatomic oxygen plot energy vs bond leng - Colaboratory.pdf

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