Adiabatic Connection for Range‐Separated Hybrid Functionals

A generalized adiabatic connection that applies to any type of range-separated hybrid (RSH) functional employed within Kohn–Sham (KS) theory is presented. This relation then used derive a definition for rigorous distinction between multiplicative exchange and correlation components. The developed defined in terms both conventional KS orbitals. It shown, however, using only the orbitals produces an error O ( ε 2 ) $O(\epsilon ^2)$ , where $\epsilon$ fully parameters RSH functional, found be small practical calculations. expected this new can assist development functionals assessment existing ones.