How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?

no code implementations • 28 Oct 2021 • Bhupalee Kalita, Ryan Pederson, Jielun Chen, Li Li, Kieron Burke

Kohn-Sham regularizer (KSR) is a differentiable machine learning approach to finding the exchange-correlation functional in Kohn-Sham density functional theory (DFT) that works for strongly correlated systems.

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