J. Cioslowski et R. Lopezboada, PROPERTIES OF ELECTRON-DENSITY AND OTHER ONE-ELECTRON OBSERVABLES DERIVED FROM GENERALIZED HILLER-SUCHER-FEINBERG IDENTITIES, The Journal of chemical physics, 109(4), 1998, pp. 1230-1237
A generalization of the Hiller-Sucher-Feinberg (HSF) and Rassolov-Chip
man identities for the electron density is presented. A companion expr
ession for the electrostatic potential is derived. Properties of the e
lectron density furnished by the generalized HSF identity are discusse
d. In particular, the behavior in the vicinity of an arbitrary potenti
al singularity and the long-range asymptotics are analyzed in detail.
A simple numerical example is provided to illustrate the new theoretic
al results. (C) 1998 American Institute of Physics.