文档介绍：Contents
1. Introduction .............................................. 1
Motivation ............................................ 1
Intramolecular – Versus Intermolecular Interactions ......... 4
2. Intermolecular Interactions ............................... 7
General Description ..................................... 7
plete Hamiltonian .............................. 8
Electrostatic Energy .................................... 10
Induction Energy ....................................... 13
Dispersion Energy ...................................... 16
Overlap–Exchange Repulsion ............................ 18
Nonspherical Potentials ................................. 20
3. Semiempirical Potentials .................................. 23
Form of the Potential ................................... 23
Parameterization ....................................... 25
An Example: Ar–HF .................................... 26
Calculation of Bound States ............................. 28
Fitting the Potential Surface ............................. 31
4. The Molecular Beam ..................................... 35
The Supersonic Expansion ............................... 35
Axisymmetric Versus Planar Expansion ................... 38
Generation of Clusters .................................. 41
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