Publisher's Synopsis
This textbook provides a comprehensive overview of modern methods of quantum chemistry, written by world leading experts on the subject. Topics covered include:
- Mathematical Tools in Quantum Chemistry
- General aspects of computational chemistry
- Second Quantization
- Basis Sets, Integrals and SCF Methods
- Density Functional Theory
- The Multiconfigurational Approach
- Coupled Cluster Theory
- Molecular properties/response theory
- Relativistic Quantum Chemistry
- Hybrid QM/classical models in Chemistry
- Algorithm design
- Local correlation
- Open shells
Each topic is complemented with extensive exercises and worked solutions. A Tutor's Guide for lecturers is provided online.
