Modified form factors from multiconfiguration Dirac-Fock wave functions for neutral atoms with Z=70-100

Authors
Kahane, S
Citation
S. Kahane, Modified form factors from multiconfiguration Dirac-Fock wave functions for neutral atoms with Z=70-100, ACT CRYST A, 55, 1999, pp. 648-651
Citations number
38
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION A
ISSN journal
01087673 → ACNP
Volume
55
Year of publication
1999
Part
4
Pages
648 - 651
Database
ISI
SICI code
0108-7673(19990701)55:<648:MFFFMD>2.0.ZU;2-L
Abstract
Tables of modified X-ray scattering factors for neutral elements with Z = 7 0-100 have been calculated using multiconfiguration Dirac-Fock wave functio ns. The physical approximation is a next step beyond the usual form-factor approximation in calculating elastic scattering photon intensities. Differe nces as large as 3-6% compared to previous calculations of the same kind ar e obtained; differences from the usual form factors are much larger.