Shashikant Kumar

most citedKohn-Sham accuracy from orbital-free density functional theory via

Δ

-machine learning

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physics.chem-ph2023★ 1 cited

Kohn-Sham accuracy from orbital-free density functional theory via $Δ$ -machine learning

Shashikant Kumar, Xin Jing, John E. Pask +2

We present a $Δ$ -machine learning model for obtaining Kohn-Sham accuracy from orbital-free density functional theory (DFT) calculations. In particular, we employ a machine learned…

Kohn-Sham accuracy from orbital-free density functional theory via Δ-machine learning

Kohn-Sham accuracy from orbital-free density functional theory via $Δ$ -machine learning