r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications

Sebastian Ehlert, Uwe Huniar, Jinliang Ning +5

We combine a regularized variant of the strongly constrained and appropriately normed semilocal density functional [J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 0…