The Quantum Theory of Atoms in Molecules and Electron Localization and Delocalization
摘要
The electron density (ρ) is a scalar field that determines the chemical, physical, and biological properties of macroscopic matter as we know it. An atom, a molecule, an ion, a crystal, all have in common that they interact with their surroundings through their electron density distributions. All chemistry is a reflection of an underlying electronic charge interaction, transfer, loss, gain, etc.