Analytic atomic electron densities in molecular self-similarity measures and electrostatic potentials

A simple analytical representation of Hartee-Fock limit atomic electron densities rho(r) in the form of sums of exponential functions has been recently devised to develop density-dependent treatments at a low computational cost, These analytically modeled densities (AMD) are here applied to molecular systems in connection with two issues directly related with rho(r). The first one concerns quantum similarity rho(r)-dependent measures and the second one is related to the minima of electrostatic potentials along internuclear axes in a molecule. The performance of AMD functions for modeling the density in these molecular descriptors is explored and found to be promising as a sound basis for further studies dealing with related density-dependent molecular properties. (C) 1998 Elsevier Science B.V.