An atoms-in-a-molecule partitioning procedure, based on the minimization of
the molecular grand potential, is presented. The fragments in the molecule
are obtained from a set of integral operators that project the total densi
ty into its components, with the sum of the fragment densities equal to the
molecular density. The hard and soft acids and bases (HSAB) principle is a
nalyzed generalizing a previous proof to the case where the external potent
ials change. (C) 2000 John Wiley & Sons, Inc.