PROPERTIES OF ELECTRON-DENSITY AND OTHER ONE-ELECTRON OBSERVABLES DERIVED FROM GENERALIZED HILLER-SUCHER-FEINBERG IDENTITIES

Citation
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
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
109
Issue
4
Year of publication
1998
Pages
1230 - 1237
Database
ISI
SICI code
0021-9606(1998)109:4<1230:POEAOO>2.0.ZU;2-X
Abstract
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.