view article
Figure 1
(a) The dashed line gives the path through the urea molecule. It is the one-dimensional position space used to represent the 1-RDM or the 1-Wigner, with t and [t^{\prime}] the curvilinear coordinates. (b) Compton anisotropies (in % of an electron) comparing the DCPs along the 100 and the 110 directions in the urea crystal. Empty circles: 3D ab initio calculations. Empty triangles: artificial data [same as before but corrupted with noise]. Connected black dots: model refined from ideal data (no noise, DCPs and XRSFs at 0 K). Connected filled red triangles: model refined from artificial data (with noise, DCPs at 0 K and XRSFs at 52 K).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 81| Part 2| April 2025| Pages 168-180
https://doi.org/10.1107/S2052520625000782
Follow Acta Cryst. B
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS