Description
Book SynopsisThe theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculatio
Trade ReviewThis is a really useful update, with much new information built up over the last 20 years, to make an already very useful book into a 'must have' for any computational chemist. * Matt Probert, Contemporary Physics *
Table of Contents1: Introduction 2: Molecules in Electric Fields 3: Electrostatic Interactions between Molecules 4: Perturbation Theory of Intermolecular Forces at Long Range 5: Ab Initio Methods 6: Perturbation Theory of Intermolecular Forces at Short Range 7: Distributed Multipole Expansions 8: Short-Range Effects 9: Distributed Polarizabilities 10: Many-body Effects 11: Interactions Involving Excited States 12: Practical Models for Intermolecular Potentials 13: Theory and Experiment Appendix A Cartesian Tensors Appendix B Spherical Tensors Appendix C Introduction to Perturbation Theory Appendix D Conversion Factors Appendix E Cartesian-Spherical Conversion Tables Appendix F Interaction Functions
