Pushing crystallography's frontiers through quantum mechanics
Yu & Gillet [(2025), Acta Cryst. B81, https://doi.org/10.1107/S2052520625000782] extend quantum crystallography (QCr) by integrating real-space (1-RDM) and phase-space (Wigner function) representations, combining elastic and inelastic X-ray scattering to experimentally probe electron behavior in crystals. Their reconstruction of the quantum properties of a urea crystal bridges quantum chemistry and crystallography in a novel and imaginative way.
Authors
- Cherif Farid Matta (ORCID: https://orcid.org/0000-0001-8397-5353)
Institutions
- Mount Saint Vincent University (CA)
- Université Laval (CA)
Publication Details
- Journal
- Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
- Published
- 2025-03-24
- DOI
- https://doi.org/10.1107/s2052520625002471
- Primary Topic
- History and advancements in chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00