Molecular modelling for beginners

Electric charges and their properties

The forces between molecules

Balls on springs

Molecular mechanics

The molecular potential energy surface

A molecular mechanics calculation

Quick guide to statistical thermodynamics

Molecular dynamics

Monte Carlo

Introduction to quantum modelling

Quantum gases

One-electron atoms

The orbital model

Simple molecules

The HF-LCAO model

HF-LCAO examples

Semi-empirical models

Electron correlation

Density functional theory and the Kohn-Sham LCAO equations

Miscellany

A mathematical aide-mémoire.