Digitale Medien
[S.l.]
:
International Union of Crystallography (IUCr)
Acta crystallographica
47 (1991), S. 715-723
ISSN:
1600-5724
Quelle:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Thema:
Chemie und Pharmazie
,
Geologie und Paläontologie
,
Physik
Notizen:
A new iteration method for direct structure retrieval starting from the exit plane-wave function Ψe(r) is proposed and tested on models. The imaginary part of the potential cannot be retrieved. The effects of the limited resolution of Ψe(r) as well as neglect of high-order Laue-zone effects and the choice of the starting potential on the result are discussed. The procedure is found to be preferable to that based on the subsequent approximation method with respect to a higher convergence rate. It is shown that an error as low as 10% may be obtained for the real part of the retrieved potential up to |σV(r)t| 〈 5.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1107/S0108767391006001
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