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.
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.
3 Calculation of Intermolecular Interactions.
3.1 Large Distances.
3.2 Intermediate and Short Distances.
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.
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.
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.
A2.1.4 Vector analysis; gradient, divergence and curl.
A2.1.5 Vector spaces and matrices.
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.
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.
A184.108.40.206 r12-dependent wave functions.
A220.127.116.11 Configuration interaction.
A18.104.22.168 Coupled cluster method.
A22.214.171.124 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.