TKJ4170 - Quantum Chemistry

About

Examination arrangement

Examination arrangement: Oral examination
Grade: Letters

Evaluation form Weighting Duration Examination aids Grade deviation
Oral examination 100/100 A

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

Further on evaluation

If there is a re-sit examination only the written exam is reapeated.

Specific conditions

Exam registration requires that class registration is approved in the same semester. Compulsory activities from previous semester may be approved by the department.

Course materials

Is given in the beginning of the course.

Credit reductions

Course code Reduction From To
KJ3040 7.5 2006-08-01

Timetable

Detailed timetable

Examination

Examination arrangement: Oral examination

Term Statuskode Evaluation form Weighting Examination aids Date Time Room *
Spring ORD Oral examination 100/100 A
  • * 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.