Intermolecular Interactions (eBook)

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.

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.

A2.1.1 Definition of vector; the addition law.

A2.1.2 Scalar and vector products; triple scalar product.

A2.1.3 Determinants.

A2.1.4 Vector analysis; gradient, divergence and curl.

A2.1.5 Vector spaces and matrices.

A2.1.6 Tensors.

A2.2 Group Theory.

A2.2.1 Properties of group operations.

A2.2.2 Representations of groups.

A2.2.3 The permutation group.

A2.2.4 The linear groups. The three-dimensional rotation
group.

A2.2.5 Point groups.

A2.2.6 Irreducible tensor operators. Spherical tensors.

References.

Appendix 3: Methods of Quantum-Mechanical Calculations of
Many-Electron Systems.

A3.1 Adiabatic Approximation.

A3.2 Variational Methods.

A3.2.1 Self-consistent field method.

A3.2.2 Methods taking into account the electron correlation.

A3.2.2.1 r12-dependent wave functions.

A3.2.2.2 Configuration interaction.

A3.2.2.3 Coupled cluster method.

A3.2.2.4 Density functional theory approach.

A3.3 Perturbation Theory.

A3.3.1 Rayleigh-Schr¨odinger perturbation theory.

A3.3.2 Møller-Plesset perturbation theory.

A3.3.3 Operator formalism and the Brillouin-Wigner
perturbation theory.

A3.3.4 Variational perturbation theory.

A3.3.5 Asymptotic expansions; Padé approximants.

References.

Index.

"...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)