TKJ4170
Quantum Chemistry
Spring
Trondheim
English
About this course
Content
- Schrödinger equation - Angular momentum theory - Born-Oppenheimer approximation - Variational theory - Perturbation theory - The Hartree-Fock model - Correlation wave function models -Optical and electric molecular properties
Learning outcomes
After finishing the course, the student will be required to
- account for theory of angular momentum theory for orbitals and electrons, and describe both coupled and uncoupled representation
- account for the Born-Oppenheimer approximation
- account for approximation methods such as variational theory and perturbation theory, and explain qualitative differences between these
- account for central many-electron wave function models and explain important differences between these
- evaluate which method would be suitable for a given chemical problem
- account for computing optical and electric molecular properties
Teaching methods
Lectures and (non-mandatory) exercises. Mandatory report.
Expected work load in the course is 200-225 hours.