Abstract
For the purpose of improving upon present approximate functionals, nonuniform coordinate scaling is introduced into density-functional theory, where nλx(x,y,z)=λnx,y,z) is an example of a nonuniformly scaled electron density. Inequalities are derived for the exact noninteracting kinetic energy Ts[n]. For example, Ts[nλx]≤λ2 Tsx[n]+Tsy[n]+Ts ]z, where Tsx,Tsy, and Tsz are the x,y, and z components of Ts. Surprisingly, the gradient expansion through fourth order violates the inequalities. We also observe that the Thomas-Fermi approximation for Ts,TsTF, and the local-density approximation for the exchange-correlation energy, ExcLDA, do not distinguish between nonuniform scaling along different coordinates. That is, TsTF[nλx]=TsTF[nλy] and ExcLDA[nλx]=ExcLDA[nλy]. In contrast, for the true noninteracting kinetic energy it is proved that Ts[nλx]≠Ts[nλy] for a general density without special symmetry, and corresponding inequalities are conjectured to apply as well to the exact Exc. Moreover, TsTF incorrectly gives the same value for its x, y, and z components.