Some consequences of scaling in density-functional theory and the virial as a density functional
L. Calder\'{\i}n and M. J. Stott

Consequences of uniform coordinate scaling of the independent particle kinetic energy functional, $T_s[n]$, of density functional theory are investigated. A scaling relation for the functional derivative of $T_s[n]$ is obtained which leads to a scaling relation for the Kohn-Sham potential, while the scaling of the Kohn-Sham equations also provides information on the scaling of the eigenvalues. An expression is deduced for the virial in terms of the ground state density and the corresponding Kohn-Sham potential. It is shown that the virial is the kinetic energy functional for a $2$-electron systems while for N-electron systems the external potential as a functional of the density preclude us from having an explicit form for the non-interacting kinetic energy functional. An approximated kinetic energy functional for $N$-electron systems, based on the virial, is presented and some numerical results discussed.

© 2008 The American Physical Society.