MS21: Modern Quantum Crystallography
Chairs
- Sajesh P. Thomas (Aarhus University, Denmark)
- Piero Macchi (University of Bern, Switzerland)
Details
- Date: Tuesday, 20. August 2019
- Time: 10:00 - 12:00
- Venue: HS7
SIG2 has changed its name from "charge, spin and momentum density" to "quantum crystallography" to reflect the recent developments in the community of accurate and physical crystallography. Therefore, it is very timely to give this new and growing community a platform to present applications behind the new term quantum crystallography.
| 10:00 | MS21-01 | Possible Quantum Crystallography Solutions for N-Representable One-Electron Reduced Density Matrices Reconstruction Jean-Michel Gillet (Ecole central Superior Paris, France) | Abstract preview |
| 10:30 | MS21-02 | Electron Configuration and Electronegativity of the Atoms Under Compression Martin Rahm (Chalmers University of Technology Gothenburg, Sweden) | Abstract preview |
| 11:00 | MS21-03 | Interactions between Stereo Chemically Active Lone Pairs in MnSb2O4 Kasper Tolborg (Aahrus University, Denmark) | Abstract preview |
| 11:20 | MS21-04 | Quantum Crystallography for Macromolecules: the HAR-ELMO Method Alessandro Genoni (CNRS & University of Lorraine, France) | Abstract preview |
| 11:40 | MS21-05 | Spin-Resolved Atomic Orbital Model Refinement for Combined Charge and Spin Density Analysis: Application to the Perovskite Claude Lecomte (Universite de Lorraine, France) | Abstract preview |