most cited1D Kinetic Energy Density Functionals learned with Symbolic Regression

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cond-mat.mtrl-sci2024★ 1 cited

1D Kinetic Energy Density Functionals learned with Symbolic Regression

Michael A. J. Mitchell, Teresa Del Aguila Ferrandis, Stefano Sanvito

Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy densi…