POT

Interatomic Potentials

John Harding

• Why bother with potentials?
• Basic points about potentials.
• Model potentials
• Molecular mechanics
• Ionic models; polarisation and compressible ion models
• Dispersion; the Slater-Kirkwood approximation
• Potentials for metals and covalent systems
• Embedded atom potentials
• Potentials from ab initio calculations and fitting
• Summary