Entry requirements

120 credits with courses in quantum mechanics, atom and molecular physics or physical chemistry or similar.

Learning outcomes

The course prepares for research activities in molecular physics and for further studies in chemical physics and material sciences on a fundamental level. After finishing the course the student is supposed to have good knowledge in the fields of molecular physics and quantum mechanical methods used for calculation of molecular properties. The student should also be familiar with experimental methods and equipment and be able to carry out experimental and theoretical investigations of molecular structure and dynamics in an independent manner.

Content

• Molecular symmetry and symmetry operations. Point groups. Group theory. The MO-LCAO method. Symmetry adapted molecular orbitals. Electronic states. Electron correlation. Rotational and vibrational movements including symmetry analysis. Transitions between different states.
• Rotational and vibrational spectroscopy. Electronic spectra of molecules. The Franck-Condon principle. Interaction with electromagnetic radiation. The Hartree-Fock method. Koopmans' theorem. Semi-empirical methods of calculation.
• Computer supported calculations and simulations (extended Hückel, ab initio).
• Laboratory exercises: Photoelectron spectroscopy, optical spectroscopy, molecular calculations (using Spartan or similar computer codes).

Instruction

The course will be given in English whenever needed. The teaching includes lectures, laboratory exercises and supervision for computer-based studies. Participation in laboratory exercises and computer calculations is compulsory and correspond to 7 days of full-time work.

Assessment

Hand in of reports concerning laboratory and computer and other theoretical exercises as well as solutions of ordinary problems. Oral presentation of some exercise.

Other regulations

The course is given every second year (alternating with a course in chemical physics).