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We present a new paradigm for the design of exchange-correlation functionalsin density-functional theory. Electron pairs are correlated explicitly by meansof the recently developed second order Bethe-Goldstone equation (BGE2)approach. Here we propose a screened BGE2 (sBGE2) variant that efficientlyregulates the coupling of a given electron pair. sBGE2 correctly dissociatesH$_2$ and H$_2^+$, a problem that has been regarded as a great challenge indensity-functional theory for a long time. The sBGE2 functional is then takenas a building block for an orbital-dependent functional, termed ZRPS, which isa natural extension of the PBE0 hybrid functional. While worsening the goodperformance of sBGE2 in H$_2$ and H$_2^{+}$, ZRPS yields a remarkable andconsistent improvement over other density functionals across various chemicalenvironments from weak to strong correlation.

Towards efficient orbital-dependent density functionals for weak and strong correlation