Atoms in Molecules

A Quantum Theory

Richard F. W. Bader

A Clarendon Press Publication

International Series of Monographs on Chemistry

Atoms in Molecules

A Quantum Theory

Richard F. W. Bader

A Clarendon Press Publication

International Series of Monographs on Chemistry

Description

The molecular structure hypothesis--that a molecule is a collection of atoms linked by a network of bonds-- provides the principal means of ordering and classifying observations in chemistry. However this hypothesis is not related directly to the physics which governs the motions of atomic nuclei and electrons. It is the purpose of this important new book to show that a theory can be developed to establish the molecular structure hypothesis, demonstrating that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics, and that the structure their presence imparts to a molecule is indeed a consequence of the underlying physics. As a result, the classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics can be incorporated into the resulting theory--a theory of atoms in molecules. Eminently accessible and readable, the book will interest all scientists involved with experiment and observation at the atomic level, in addition to theoreticians.

Atoms in Molecules

A Quantum Theory

Richard F. W. Bader

A Clarendon Press Publication

International Series of Monographs on Chemistry

1. Atoms in Chemistry
2. Atoms and the Topology of the Charge Density
3. Molecular Structure and its Change
4. Mathematical Models of Structural Change
5. The Quantum Atom
6. The Mechanics of an Atom in a Molecule
7. Chemical Models and the Laplacian of the Charge Density
8. The Action Principle for a Quantum Subsystem
List of symbols

Atoms in Molecules

A Quantum Theory

Richard F. W. Bader

A Clarendon Press Publication

International Series of Monographs on Chemistry

Reviews and Awards

"Presents an account of the theory that molecules are made up of atoms held together by bonds, addressed to scientists in a wide range of fields who perform experiments and collect observations on matter at the atomic level. It's true that this very theory has formed the basis of these very scientists' work for a century now, but it has never been quantified sufficiently to provide a mathematical assurance that those atoms are really there. A mathematical demonstration of the theory would free it from its empirical restraints and release the full predictive power of quantum mechanics. Each chapter increases in difficulty, so that readers can drop out when they reach their limit, go on to the next chapter, and end up with a full view of the argument." --University Press Book News

"Overall, Atoms in Molecules: A Quantum Theory is a very comprehensive monograph that I would strongly recommend not just to quantum chemists but also to anyone interested in a systematic and mathematically rigorous approach to understanding chemical and physical properties of molecules. Those who are not familiar with Bader's theory and manage to work through the formidable mathematics will appreciate its formal elegance and conceptual beauty. Those who know the theory and would like to have a convenient compendium with all the relevant equations and references handy will be equally satisfied.." --Science

"This book constitutes an authoritative and rigorous treatment of the quantum mechanics of atoms in molecules. . . .Mathematical aspects are well presented and rigorous derivations are given at the end of each chapter. . . .Clearly a must for chemistry and physics libraries alike." --Contemporary Physics

"A significant, highly scholarly, contribution." --Times Higher Education Supplement

"Very useful and detailed." --Journal of the American Chemical Society