LOWER BOUNDS TO DENSITY-DEPENDENT QUANTITIES OF ATOMS IN TERMS OF LOGARITHMIC EXPECTATION VALUES

Citation
I. Porras et Fj. Galvez, LOWER BOUNDS TO DENSITY-DEPENDENT QUANTITIES OF ATOMS IN TERMS OF LOGARITHMIC EXPECTATION VALUES, Journal of physics. B, Atomic molecular and optical physics, 26(22), 1993, pp. 3991-3998
Citations number
17
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
26
Issue
22
Year of publication
1993
Pages
3991 - 3998
Database
ISI
SICI code
0953-4075(1993)26:22<3991:LBTDQO>2.0.ZU;2-M
Abstract
Bounds to different quantities of atomic systems, related in a direct way to the single-particle electron density of the system (such as the kinetic energy, T, the exchange energy in the Dirac-Slater form, E(ex ), the average radial density, [rho], and the electron density at the nucleus, rho(0)), are given in terms of two radial expectation values of the form [r(beta)] and [r(beta)ln r]. The quality of the bounds is numerically studied within the Hartree-Fock framework.