Density scaling and relaxation of the Pauli principle

The relaxation of the Pauli principle associated with density scaling is examined. Scaling the density has been investigated in the development of density functional computational methods with higher accuracy. Scaling the density by rho(r)(zeta)=rho(r)zeta reduces the number of electrons to M=Nzeta when zeta>1. The minimum kinetic energy of the scaled density, T(s)[rhozeta], can be scaled back to the N-electron system by multiplying the …