Reformulation of DFT as a self-consistent single-particle problem: an auxiliary non-interacting system of electrons in an effective potential v_KS(r) = v_ext(r) + v_H(r) + v_xc(r) that yields the same ground-state density as the…
Reformulation of DFT as a self-consistent single-particle problem: an auxiliary non-interacting system of electrons in an effective potential v_KS(r) = v_ext(r) + v_H(r) + v_xc(r) that yields the same ground-state density as the…