DERIVATION OF THE JOINT PROBABILITY-DISTRIBUTION OF STRUCTURE-FACTOR COMPONENTS WITHOUT ASSUMING INDEPENDENT ATOMS - RELATION TO THE SPARSE-DENSITY PRINCIPLE

Authors
VERWER P KRABBENDAM H KROON J
Citation
P. Verwer et al., DERIVATION OF THE JOINT PROBABILITY-DISTRIBUTION OF STRUCTURE-FACTOR COMPONENTS WITHOUT ASSUMING INDEPENDENT ATOMS - RELATION TO THE SPARSE-DENSITY PRINCIPLE, Acta crystallographica. Section A, Foundations of crystallography, 52, 1996, pp. 712-716
Citations number
6
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section A, Foundations of crystallography → ACNP
ISSN journal
01087673
Volume
52
Year of publication
1996
Part
5
Pages
712 - 716
Database
ISI
SICI code
0108-7673(1996)52:<712:DOTJPO>2.0.ZU;2-C
Abstract
In this paper, a number of equations based on the sparse-density princ iple [Verwer, Krabbendam & Kroon (1991). Acta Cryst. A47, 143-144] are given. The corresponding joint probability distributions (j.p.d.'s) a re derived, both with the assumption of independent atoms and without. It is concluded that the sparse-density principle is equivalent to th e assumption of independent atoms, which leads to the neglect of n-ato m interactions for which r(1) +/- r(2) +/-...+/- r(n) (mod1), which wo uld influence the nth-order moments that appear in the j.p.d.