Molecular Quantum Mechanics
Syllabus, Master's level, 1KB557
- Code
- 1KB557
- Education cycle
- Second cycle
- Main field(s) of study and in-depth level
- Chemistry A1F, Physics A1F
- Grading system
- Fail (U), Pass (3), Pass with credit (4), Pass with distinction (5)
- Finalised by
- The Faculty Board of Science and Technology, 10 March 2011
- Responsible department
- Department of Chemistry - Ångström
Entry requirements
120 credits including 60 credits Chemistry or Physics. Chemical Bonding and Computational Chemistry, 10 credits, or equivalent.
Learning outcomes
On completion of the course, the student should be able to
- use the Dirac formalism with relevance within chemistry
- use the matrix formalism to solve simple model systems with relevance within chemistry
- use the harmonic oscillator to describe and solve simple models with relevance within chemistry
- account for the Born-Oppenheimer approximation and the concept of potential energy surfaces
Content
Dirac formalism. Matrix formalism. Perturbation theory. The Born-Oppenhemier approximation and potential energy surfaces. Scattering theory, tunnelling and chemical reactions. Step operators Harmonic oscillator applied on chemical problems. Time-dependent Schrödinger equation. Fermi Golden rule.
Instruction
Lectures, problem solving sessions and laboratory work
Assessment
Written tests are organised at the end of the course and/or during the course and correspond 4 HE credits. Laboratory sessions and projects/written assignments correspond to 1 credits. For a pass mark, it is required that all the parts have been assessed passed. The final grade corresponds to a weighen average of the results from the written examination, the laboratory work and projects.
Other directives
The course can not be counted in the degree together with course 1KB552.