Author/Authors :
Howard ، نويسنده , , I.A. and March، نويسنده , , N.H. and Ayers، نويسنده , , P.W.، نويسنده ,
Abstract :
In a recent paper one of us has exposed a link between the idempotent Dirac density matrix built from occupied Kohn–Sham orbitals and the frontier orbitals. An alternative argument is here presented, from the equation of motion of the density matrix generated by any local potential V(r).