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Accurate Charge-Density Studies as an Extension of Bayesian Crystal Structure Determination.

Authors :
Roversi, Pietro
Irwin, John J.
Bricogne, Gérard
Source :
Acta Crystallographica: Section A (Wiley-Blackwell). Nov98 Part 2, Vol. 54 Issue 6, p971. 26p.
Publication Year :
1998

Abstract

Focuses on the first stages of extending the Bayesian program to accurate charge-density studies based on single-crystal x-ray diffraction data. Positional probability distribution of scatterers having maximum entropy relative to a given prior prejudice; Existence of non-nuclear density maxima at special positions for crystalline silicon and beryllium.

Details

Language :
English
ISSN :
01087673
Volume :
54
Issue :
6
Database :
Academic Search Index
Journal :
Acta Crystallographica: Section A (Wiley-Blackwell)
Publication Type :
Academic Journal
Accession number :
9116018
Full Text :
https://doi.org/10.1107/S010876739800539X