Intermolecular Interactions
Physical Picture, Computational Methods and Model Potentials
Published on 7. April 2006
Book
Hardback
380 pages
978-0-470-86332-9 (ISBN)
Description
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 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.
Reviews / Votes
"...worthy to be placed on the shelf of any researcher, teacher, or graduate student working in those fields of science." (Physics Today, July 2007) "This book is of interest for all those professionals that carry out experimental and theoretical studies of intermolecular interactions..." (Magazine of Modern Plastics, April 2007)More details
Series
Edition
1. Auflage
Language
English
Place of publication
New York
United States
Target group
Professional and scholarly
Product notice
sewn/stitched
Paper over boards
Dimensions
Height: 235 mm
Width: 157 mm
Thickness: 25 mm
Weight
702 gr
ISBN-13
978-0-470-86332-9 (9780470863329)
Schweitzer Classification
Other editions
Additional editions
Ilya G. Kaplan
Intermolecular Interactions
Physical Picture, Computational Methods and Model Potentials
E-Book
05/2006
Wiley
€179.99
Available for download
Person
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.
Content
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 Atom-Atom 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 Basis of Experimental Data.
5.4 Global Optimization Methods.
References.
Appendix 1: Fundamental Physical Constants and Conversion Table of Physical Units.
Appendix 2: Some Necessary Mathematical Apparatus.
A2.1 Vector and Tensor Calculus.
A2.2 Group Theory.
References.
Appendix 3: Methods of Quantum-Mechanical Calculations of Many-Electron Systems.
A3.1 Adiabatic Approximation.
A3.2 Variational Methods.
A3.3 Perturbation Theory.
References.
Index.