Quantum chemical accuracy from density functional approximations via machine learning.

Kohn-Sham density functional theory (DFT) is a standard tool in most branches of chemistry, but accuracies for many molecules are limited to 2-3 kcal ⋅ mol^-1 with presently-available functionals. Ab initio methods, such as coupled-cluster, routinely produce much higher accuracy, but compu... View More