Digitale Medien
Copenhagen
:
International Union of Crystallography (IUCr)
Applied crystallography online
12 (1979), S. 585-588
ISSN:
1600-5767
Quelle:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Thema:
Geologie und Paläontologie
,
Physik
Notizen:
The radial distribution function [g(r)] of a liquid can be obtained from an integral transform of its X-ray scattering intensity I(μ). Experimentally, I(μ) can be measured over only a limited range, leading to termination errors in g(r). Using the strict positivity of g(r), an iterative method is proposed to reduce these errors. The negative portions of each successive distorted approximation of g(r) are replaced by the value zero and this function is used to generate I(μ) in the non-measured range. Computer calculations on a model function yield encouraging results. The method appears to have an advantage over current approaches as it does not require a knowledge of the hard-core diameter of the atoms. It is also expected to work in the case of molecular liquids where there are some difficulties in applying the current methods.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1107/S0021889879013297
Permalink
Bibliothek |
Standort |
Signatur |
Band/Heft/Jahr |
Verfügbarkeit |