Modern Charge-Density Analysis [Hardcover]

Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and responses of materials (having an organic, inorganic or hybrid nature as in modern materials and bio-science, and used for functional devices or biomaterials).

Modern Charge-Density Analysis is inherently multidisciplinary and written for chemists, physicists, crystallographers, material scientists, and biochemists alike. It serves as a useful tool for scientists already working in the field by providing them with a unified view of the multifaceted charge-density world. Additionally, this volume facilitates the understanding of scientists and PhD students planning to enter the field by acquainting them with the most significant and promising developments in this arena.

A guided tour through modern charge density analysis.- Electron densities and related properties from the ab-initio simulation of crystalline solids.- Modeling and analysing thermal motion in experimental charge density studies.- Spin and the Complementary Worlds of Electron Position and Momentum Densities.- Past, present and future of charge density and density matrix refinements.- Using wavefunctions to get more information out of diffraction experiments.- Local Models for Joint Position and Momentum Density Studies.- Magnetization densities in material science.- Beyond Standard Charge Density Topological Analyses.- On the Interplay Between Real and ReclS4