TKJ4170

Quantum Chemistry

Spring

Trondheim

English

Overview

8 candidates

Average grade

A

4.50

0.22

Pass rate

100%

same

Grade distribution
Average over time
Pass rate over time

About this course

Content

- Schrödinger equation - Angular momentum theory - Born-Oppenheimer approximation - Variational theory - Perturbation theory - The Hartree-Fock model - Correlation wave function models -Optical and electric molecular properties

Learning outcomes

After finishing the course, the student will be required to

  • account for theory of angular momentum theory for orbitals and electrons, and describe both coupled and uncoupled representation
  • account for the Born-Oppenheimer approximation
  • account for approximation methods such as variational theory and perturbation theory, and explain qualitative differences between these
  • account for central many-electron wave function models and explain important differences between these
  • evaluate which method would be suitable for a given chemical problem
  • account for computing optical and electric molecular properties

Teaching methods

Lectures and (non-mandatory) exercises. Mandatory report.
Expected work load in the course is 200-225 hours.