ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Spin-only magnetic form factors and X-ray form factors for Mn, Mn+, Co, Co2+, Ni and Ni2+ are calculated using configuration interaction wavefunctions. The magnetic form factors for Co2+ are used in the analysis of polarized neutron diffraction data for Cs3CoCl5, to give spin populations. The inclusion of correlation functions in the wavefunction leads to changes in Hartree-Fock form factors of transition metal atoms, which maximize at K/4π ̃0.4 Å-1, where they amount to approximately 5% of the form factor at that value of K.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108767384001288
Permalink