Constraints on density functionals and density functional derivatives

In order to improve approximations to density functionals such as the excha nge-correlation functional, E-xc[rho], and the independent Fermion kinetic energy functional, T-s[rho], it is essential to have information on the beh avior of the exact functionals. Any approximation should then be made to sa tisfy these conditions. With this in mind, constraints on functionals and f unctional derivatives which reflect stability against translation, rotation and uniform scaling of the charge density for electrons moving in a fixed external potential, are derived from the minimal property of the energy fun ctional F[rho] = T-s[rho] + U[rho] + E-xc[rho] when evaluated at a upsilon- representable density rho(r). (C) 1999 American Institute of Physics. [S002 1-9606(99)01904-2].