Theoretical Chemistry NV1
Syllabus, Master's level, 1KE960
This course has been discontinued.
- Code
- 1KE960
- Education cycle
- Second cycle
- Main field(s) of study and in-depth level
- Physics A1N
- Grading system
- Pass with distinction (5), Pass with credit (4), Pass (3), Fail (U)
- Finalised by
- The Faculty Board of Science and Technology, 6 November 2007
- Responsible department
- Department of Chemistry - Ångström
Entry requirements
120 credits. 30 credits Mathematics and 60 credits Physics and/or Chemistry 60 credits.
Learning outcomes
The aim of the course is to give deeper knowledge about quantum mechanical treatment of many-electron systems, and to give familiarity with different computational methods for quantum chemical calculations on molecular systems.
Content
Quantum Mechanics: wave functions, operators,
the Schrödinger equation, 1-dim models, angular momentum
perturbation theory, the variational principle.
Molecular Physics: the Hydrogen atom, independent particle model,
the Hartree-Fock approximation. Molecular orbital theory.
Valence bond. Density functional theory. Symmetri.
Theoretical Chemistry: Computational methods in Quantum Cehmistry,
Instruction
Lectures, lessons and computer exercises
Assessment
Witten examination at the end of the different
parts of the course. Oral presentationm of project work.