TIGHT APPROXIMATIONS TO TOTAL SCATTERING INTENSITIES FROM ELECTRON-PAIR DENSITY QUANTITIES

Authors
CUCHI JC ANTOLIN J ZARZO A ANGULO JC
Citation
Jc. Cuchi et al., TIGHT APPROXIMATIONS TO TOTAL SCATTERING INTENSITIES FROM ELECTRON-PAIR DENSITY QUANTITIES, Physics letters. A, 230(5-6), 1997, pp. 324-329
Citations number
35
Categorie Soggetti
Physics
Journal title
Physics letters. A → ACNP
ISSN journal
03759601
Volume
230
Issue
5-6
Year of publication
1997
Pages
324 - 329
Database
ISI
SICI code
0375-9601(1997)230:5-6<324:TATTSI>2.0.ZU;2-6
Abstract
Three different mathematical techniques (maximum-entropy, Stieltjes-ty pe and Pade-like approximants) are used to obtain tight approximations to scattering intensities in terms of a few local and/or global quant ities related to the electron-pair density. The accuracy of the approx imations is analyzed and compared by means of Hylleraas-type atomic wa vefunctions. (C) 1997 Elsevier Science B.V.