Intermolecular Interactions

The subject of this book -- intermolecular interactions
-- is as important in physics as in chemistry and molecular
biology. Intermolecular interactions are responsible for the
existence of liquids and solids in nature. They determine the
physical and chemical properties of gases, liquids, and crystals,
the stability of chemical complexes and biological compounds.

In the first two chapters of this book, the detailed qualitative
description of different types of intermolecular forces at large,
intermediate and short-range distances is presented. For the first
time in the monographic literature, the temperature dependence of
the dispersion forces is discussed, and it is shown that at finite
temperatures the famous Casimir-Polder asymptotic formula is
correct only at narrow distance range. The author has aimed to make
the presentation understandable to a broad scope of readers without
oversimplification. In Chapter 3, the methods of quantitative
calculation of the intermolecular interactions are discussed and
modern achievements are presented. This chapter should be helpful
for scientists performing computer calculations of many-electron
systems.

The last two chapters are devoted to the many-body effects and
model potentials. More than 50 model potentials exploited for
processing experimental data and computer simulation in different
fields of physics, chemistry and molecular biology are represented.
The widely used global optimisation methods: simulated annealing,
diffusion equation method, basin-hopping algorithm, and genetic
algorithm are described in detail.

Significant efforts have been made to present the book in a
self-sufficient way for readers. All the necessary mathematical
apparatus, including vector and tensor calculus and the elements of
the group theory, as well as the main methods used for quantal
calculation of many-electron systems are presented in the
appendices.

Auteur

Ilya G. Kaplan is the Head of Department, Materials Research Institute, National Autonomous University of Mexico. He has been studying the Pauli Exclusion Principle for more than 35 years and is a well-known scientist in this field. He has published 4 books in Russian, 4 books in English, including the Wiley title, Intermolecular Interactions, and 11 book chapters, one of which was devoted to the Pauli Exclusion Principle. He was also an Associate Editor for Wiley's Handbook of Molecular Physics and Quantum Chemistry, published in 2003.

Texte du rabat
The subject of this bookintermolecular interactions is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the literature, the temperature dependence of the dispersion forces is analyzed and it is shown that the famous Casimir-Polder formula for dispersion forces is incorrect at any finite temperature. The author has aimed to make the presentation understandable to a broad scope of readers without oversimplification. In Chapter 3, the methods of quantitative calculation of the intermolecular interactions are discussed and modern achievements are presented. This chapter should be helpful for scientists performing computer calculations of many-electron systems.

The last two chapters are devoted to the many-body effects and model potentials. More than 50 model potentials exploited for processing experimental data and computer simulation in different fields of physics, chemistry and molecular biology are represented. The widely used optimization methods: simulated annealing, diffusion equation method, basin-hopping algorithm, and genetic algorithm are described in detail.

Significant efforts have been made to present the book in a self-sufficient way for readers. All the necessary mathematical apparatus, including vector and tensor calculus and the elements of the group theory, as well as the main methods used for quantal calculation of many-electron systems are presented in the appendices.

All those working on the theoretical and experimental studies of intermolecular interactions in chemistry, physics, biochemistry and molecular biology will find this text of interest and it will appeal to advanced undergraduates, graduates and researchers.

Résumé
The subject of this book intermolecular interactions is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the monographic literature, the temperature dependence of the dispersion forces is discussed, and it is shown that at finite temperatures the famous Casimir-Polder asymptotic formula is correct only at narrow distance range. The author has aimed to make the presentation understandable to a broad scope of readers without oversimplification. In Chapter 3, the methods of quantitative calculation of the intermolecular interactions are discussed and modern achievements are presented. This chapter should be helpful for scientists performing computer calculations of many-electron systems.

The last two chapters are devoted to the many-body effects and model potentials. More than 50 model potentials exploited for processing experimental data and computer simulation in different fields of physics, chemistry and molecular biology are represented. The widely used global optimisation methods: simulated annealing, diffusion equation method, basin-hopping algorithm, and genetic algorithm are described in detail.

Significant efforts have been made to present the book in a self-sufficient way for readers. All the necessary mathematical apparatus, including vector and tensor calculus and the elements of the group theory, as well as the main methods used for quantal calculation of many-electron systems are presented in the appendices.

Contenu
Preface. 1 Background Knowledge.

1.1 The Subject and its Specificity.

1.2 A Brief Historical Survey.

1.3 The Concept of Interatomic Potential and Adiabatic Approximation.

1.4 General Classification of Intermolecular Interactions.

References.

2 Types of Intermolecular Interactions: Qualitative Picture.

2.1 Direct Electrostatic Interactions.

2.2 Resonance Interaction.

2.3 Polarization Interactions.

2.4 Exchange Interaction.

2.5 Retardation Effects in Long-Range Interactions and the Influence of Temperature.

2.6 Relativistic (Magnetic) Interactions.

2.7 Interaction Between Macroscopic Bodies.

References.

3 Calculation of Intermolecular Interactions.

3.1 Large Distances.

3.2 Intermediate and Short Distances.

References.

4 Nonadditivity of Intermolecular Interactions.

4.1 Physical Nature of Nonadditivity and the Definition of Many-Body Forces.

4.2 Manifestations of Nonadditive Effects.

4.3 Perturbation Theory and Many-Body Decomposition.

4.4 Many-Body Effects in Atomic Clusters.

4.5 AtomAtom Potential Scheme and Nonadditivity.

References.

5 Model Potentials.

5.1 Semiempirical Model Potentials.

5.2 Determination of Parameters in Model Potentials.

5.3 Reconstructing Potentials on the …