The 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 calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.

Readership : Suitable for graduate students, postdoctoral research workers, and final-year undergraduates in physics and chemistry.

1. 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
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Anthony Stone, Emeritus Professor of Theoretical Chemistry, University of Cambridge, studied at the University of Cambridge, and after a short period in the United States took up a teaching and research position at Cambridge, where he has remained. He retired in 2006.

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Special Features

Assumes only an understanding of elementary quantum mechanics and reasonable mathematical ability.Explains ab initio methods.Includes extensive tables in the appendices to give formulae for multipole moment interactions, and conversions between units and between Cartesian and spherical-tensor formulations.Explains perturbation theory methods.Includes an extensive bibliography.New to this EditionA new discussion of the frequency-dependent density susceptibility.A much fuller treatment of density functional theory.An extended and up-to-date treatment of models.The chapter on the relationship between the theory and experimental methods has been extensively revised.The literature citations and the discussion have been brought up to date throughout.Available in print and as electronic book.