Publications by authors named "Xia-Yu Zhou"
Article Synopsis
- Accurately predicting electronic properties of Coulombic systems using experimental electron density, like that from X-ray crystallography, remains a challenge.
- This research employs an information-theoretic approach within the framework of density functional reactivity theory to illustrate how quantities such as Shannon entropy can effectively describe electronic properties like total energy.
- The study validates the idea that Shannon entropy captures all necessary information for characterizing electronic systems and offers a method to connect experimentally obtained electron density to various electronic properties.
