Course content

The fundamental concepts of quantum mechanics. The time-dependent Schrödinger equation. Born-Oppenheimer approximation. Group theory. Variational theory. Perturbation theory. The Hartree-Fock model and molecular orbital theory. Description of electron correlation and density functional theory. Calculation of electronic spectra. Polarizability and hyperpolarizability. Calculation of NMR spectra. Other electric and magnetic properties.

Learning outcome

The course gives an introduction to quantum chemistry concepts and methods. The calculation of molecular properties will be emphasized.

Learning methods and activities

Lectures. Written exercises. Laboratory work. Mandatory semester work. English teaching by request.

Compulsory assignments

• Exercises/semester paper

Recommended previous knowledge

TKJ4166 (see course description for 2009/10) or corresponding knowledge.

Course materials

Is given in the beginning of the course.

Credit reductions