Electron density is not spherical: the many applications of the transferable aspherical atom model
Marta Kulik, P.M. Dominiak
Abstract
In the simplest approach and at low resolution, the electron density of an atom can be approximated by a sphere. However, the resolutions currently achieved in X-ray macromolecular crystallography reach atomic resolutions, where a more sophisticated approach is inevitable. This review summarizes the available electron density and scattering factor models and their applications with emphasis on the transferable aspherical atom model (TAAM).
Topics & Concepts
Atom (system on chip)Electron densityElectronScatteringAtomic modelPhysicsComputational physicsElectron scatteringResolution (logic)Atomic physicsMolecular physicsOpticsComputer scienceQuantum mechanicsArtificial intelligenceEmbedded systemX-ray Diffraction in CrystallographyAdvanced Chemical Physics Studies