AFC_cristal
L'Association Européenne de Cristallographie organise en parallèle de ses Lunchtime Webinars via son Special Interest Group 2 (Quantum Crystallography) les "Distinguished Lectures on Quantum Crystallography and Complementary Fields". Le 9 avril prochain à 16h c'est Claude Lecomte (CRM2, Université de Lorraine/CNRS, Nancy) qui présente le webinaire Charge Density Research – Past, Present and Future Challenges for Crystallography. Inscriptions ici.
Résumé:
Résumé:
This lecture will first present a short history of the charge, spin and momentum density research since the very beginning (Debye and Hartree) until now with applications to material science, chemical bonding, intermolecular interactions and large molecules using experimental or theoretical multipolar data bases . It will be shown how the field has evolved from electron density deformation maps ( X-N or X-X) for centrosymmetric crystals to total density modelling and related applications (electrostatic potential , topology of electron density) for any type of good quality crystals.
