LOCAL HARDNESS REVISITED - DEFINITION AND THE SPIN-POLARIZED KOHN-SHAM FORMULATION OF DENSITY-FUNCTIONAL THEORY

The definition of local hardness is clarified within the Kohn-Sham for mulation of the density functional theory. Exact equations for the loc al hardness of open- and closed-shell electronic systems are derived. It is found that the Kohn-Sham independent particle kinetic energy doe s not contribute to local hardness. The apparent contradiction with pr evious work of Parr et al. is cleared up when the local hardness defin ition is revised. (C) 1994 John Wiley & Sons, Inc.