Computational Chemistry from A to Z

This first mini-encyclopedia devoted to computational chemistry contains over 1,000 alphabetical entries, covering basic as well as specialized terms and concepts in a precise and concise way, including:
- mathematical foundations
- wave function- based methods
- density functional theory
- relativistic quantum mechanics
- semi-empirical and force-field methods
- population analysis tools
- cheminformatics.
A quick and handy reference.