화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.4, 1230-1237, 1998
Properties of electron density and other one-electron observables derived from generalized Hiller-Sucher-Feinberg identities
A generalization of the Hiller-Sucher-Feinberg (HSF) and Rassolov-Chipman identities for the electron density is presented. A companion expression for the electrostatic potential is derived. Properties of the electron density furnished by the generalized HSF identity are discussed. In particular, the behavior in the vicinity of an arbitrary potential singularity and the long-range asymptotics are analyzed in detail. A simple numerical example is provided to illustrate the new theoretical results.