Electronic Resource
[S.l.]
:
International Union of Crystallography (IUCr)
Acta crystallographica
51 (1995), S. 171-177
ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Elastic scattering factors (or atomic form factors) f (s) for Li to Ar have been derived in the first Born approximation from ab initio MR-SDCI (multireference singly and doubly excited configuration interaction) calculations which recover between 90 and 99% of the estimated total correlation energy. The correlation effects on f (s) are contrasted with the relativistic effects known from the literature. Atomic form factors are presented that take into account correlation and relativistic contributions in an additive manner.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108767394009748
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