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physics.chem-ph2025★ 1 cited
Local-density correlation functional from the force-balance equation
Nicolas Tancogne-Dejean, Markus Penz, Michael Ruggenthaler +1
The force-balance equation of time-dependent density-functional theory presents a promising route towards obtaining approximate functionals, however, so far, no practical correlati…
physics.chem-ph2024
Neural network distillation of orbital dependent density functional theory
Matija Medvidović, Jaylyn C. Umana, Iman Ahmadabadi +3
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component…