most citedNonlocal Orbital-Free Kinetic Energy Functional from the Jellium-with-Gap Model for Finite Systems

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physics.chem-ph2026

What Does a Semilocal Machine-Learning Correction Actually Learn? Size-Dependent Errors across Four Parent Functionals

Abhishek Bhattacharjee, Kishan Kumar Mohanta, Subrata Jana +1

Machine-learning (ML) corrections to density functional approximations (DFAs) offer a route to improving electronic-structure predictions while retaining the efficiency of semiloca…