Minimum-cross-entropy estimation of atomic charge densities from scattering factors

Authors
Antolin, J Cuchi, JC Angulo, JC
Citation
J. Antolin et al., Minimum-cross-entropy estimation of atomic charge densities from scattering factors, J PHYS B, 32(3), 1999, pp. 577-586
Citations number
29
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
32
Issue
3
Year of publication
1999
Pages
577 - 586
Database
ISI
SICI code
0953-4075(19990214)32:3<577:MEOACD>2.0.ZU;2-K
Abstract
Tight model-independent approximations to the one-particle atomic density r ho(r), derived from very few values of the form factor F(k), are obtained b y means of the minimum-cross-entropy technique. For completeness, the accur acy of the approximations is analysed within a Hartree-Fock framework.