Self-consistent double-hybrid density functional theory via one-body second-order Møller-Plesset perturbation theory and projection-based embedding

Huy Gia Bui, Lan Nguyen Tran

We present the development of self-consistent one-body double-hybrid (OBDH) density functional theory (DFT). In this approach, the one-body second-order Møller-Plesset (OBMP2) pert…