الصفحة 1
الصفحة 1
Quantum Chemistry of Solids : The LCAO First Principles Treatment of Crystals
Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems.
Physics of Ferroelectrics : A Modern Perspective
During the past two decades, revolutionary breakthroughs have occurred in the understanding of ferroelectric materials, both from the perspective of theory and experiment. This book addresses the paradigmatic shifts in understanding brought about by these breakthroughs.
Models for Polymeric and Anisotropic Liquids
Models should be as simple as possible, but no simpler. For the physics of polymeric liquids, whose relevant lengths and time scales are out of reach for first principles calculations, this means that we have to choose a minimum set of sufficiently detailed descriptors such as architecture (linear, ring, branched), connectivity, semiflexibility, stretchability, excluded volume, and hydrodynamic interaction. These 'universal' fluids allow the prediction of material properties under external flow- or electrodynamic fields, the results being expressed in terms of reference units, specific for any particular chosen material. This book provides an introduction to the kinetic theory and computer simulation methods needed to handle these models and to interpret the results. Also included are a number of sample applications and computer codes.
