Lecturers:
Reinhart Ahlrichs (Karlsruhe) Trygve U. Helgaker (Oslo)
Nicholas Handy (Cambridge) Jeppe Olsen (Lund)
Per-Åke Malmqvist (Lund) Björn O. Roos (Lund)
Roland Lindh (Lund) Per Siegbahn (Stockholm)
Andrzej Sadlej (Lund) Ulf Wahlgren (Stockholm)
Peter R. Taylor (San Diego)
Curriculum:
Theory:
- Introduction to second quantization;
- Mathematical tools in quantum chemistry;
- Molecular symmetry in quantum chemistry;
- Basis sets;
- Integrals and integral gradients;
- SCF methods;
- Multiconfigurational SCF theory and multiconfigurational perturbation theory;
- Configuration interaction and coupled cluster methods;
- Density functional theory;
- Gradient methods and potential surfaces.
Applications:
- Molecular structure and energies
- Energy surfaces for chemical reactions
- Spectroscopy and photochemistry
- Molecular properties (electric and magnetic)
- Intermolecular interactions