Balancing accuracy and computational feasibility, Kohn-Sham (KS) density functional theory (DFT) has become the go-to quantum-chemical method for time propagation of molecular systems and computation of statistical averages when combined with molecular dynamics (MD) or Monte-Carlo (MC) engines . Although the ground-state energy and electron density are formally exact within DFT, their universal mapping remains unknown, necessitating the use of approximations in the KS formalism. In this approach, many-body interactions are accounted for and incorporated into the approximate exchange-correlation (XC) functional.