Intrusion of quantum crystallography into classical lands
This article, written on the occasion of the International Year of Quantum Science and Technology, explores the development of alternative approaches to pure-state N-electron wavefunctions in quantum physics. It focuses on Quantum Crystallography tools and explains how the combination of X-ray coherent-elastic and incoherent-inelastic scattering data has enabled the description of mean-electron's quantum behaviour in phase space. The article gives a numerical example using a urea crystal to demonstrate the attainability of recovering a one-electron reduced density matrix and its associated reduced Wigner function. It emphasizes the importance of momentum-space measurements in obtaining a more accurate phase-space picture of electron quantum physics in crystals.
Authors
- Jean‐Michel Gillet (ORCID: https://orcid.org/0000-0001-7922-8152)
- Sizhuo Yu
Institutions
- Centre National de la Recherche Scientifique (FR)
- Université Paris-Saclay (FR)
- CentraleSupélec (FR)
Publication Details
- Journal
- Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
- Published
- 2025-03-06
- DOI
- https://doi.org/10.1107/s2052520625000782
- Citations
- 2
- Primary Topic
- Inorganic Fluorides and Related Compounds
- Type
- article
- Field-Weighted Citation Impact
- 1.07
Funders
- China Scholarship Council