Course - Quantum Chemistry - TKJ4170
TKJ4170 - Quantum Chemistry
About
Examination arrangement
Examination arrangement: Oral examination
Grade: Letters
Evaluation | Weighting | Duration | Grade deviation | Examination aids |
---|---|---|---|---|
Oral examination | 100/100 |
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.
After finishing the course, the student should be able to:
- Account for the fundamental concepts and equations in quantum mechanics.
- Account for the Born-Oppenheimer approximation.
- Give an overview of different computational methods: variational theory and perturbation theory.
- Account for the central electronic structure models.
- Describe different electron correlation models.
- Account for electric and magnetic molecular properties.
- Interpretation of NMR spectra.
Learning methods and activities
Lectures. Written exercises. Laboratory work. Mandatory semester work. English teaching by request.
Compulsory assignments
- Exercises/semester paper
Recommended previous knowledge
KJ1041 or corresponding knowledge.
Course materials
Is given in the beginning of the course.
Credit reductions
Course code | Reduction | From | To |
---|---|---|---|
KJ3040 | 7.5 |
No
Version: 1
Credits:
7.5 SP
Study level: Second degree level
Term no.: 1
Teaching semester: SPRING 2013
Language of instruction: English
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- Physical Chemistry
- Chemistry
- Technological subjects
Examination
Examination arrangement: Oral examination
- Term Status code Evaluation Weighting Examination aids Date Time Examination system Room *
- Spring ORD Oral examination 100/100 2013-06-04 09:00
-
Room Building Number of candidates
- * The location (room) for a written examination is published 3 days before examination date. If more than one room is listed, you will find your room at Studentweb.
For more information regarding registration for examination and examination procedures, see "Innsida - Exams"