Time-independent excited-state density functional theory: study of 1s22p3(4S) and 1s22p3(2D) states of the boron isoelectronic series up to Ne5+

Using accurate Monte Carlo densities for excited states of the boron isoelectronic series, we construct the Kohn–Sham systems for these excited states. The Kohn–Sham system is that for which the non-interacting kinetic energy is closest to the true kinetic energy. Within the exchange-only approximation we also demonstrate the accuracy of a newly constructed exchange-energy functional for these excited states.