Quantum Chemistry
Full course description
This course will introduce students to the foundations of quantum mechanics and its application in chemistry. It will start with the introduction of quantum mechanics through the analysis of Stern-Gerlach spin measurements to allow students to learn about the Dirac and matrix notation. The basic postulates of quantum mechanics will be introduced through their manifestation in the Stern-Gerlach experiments. Subsequently, traditional wave-function aspects of quantum mechanics will be studied via a few exactly solvable models - a particle in a box, the hydrogen atom, the harmonic oscillator, with a view to emphasizing their connections to the basic postulates. The course will conclude by presenting the basics of approximation methods, such as variational method and perturbation theory and their application to multielectron systems.
Course objectives
- To apply quantum chemistry methods to describe chemical systems;
- To predict some molecular properties by solving quantum chemistry equations;
- To recognize and critique the failures of the model.
Prerequisites
- MAT2006 or
- MAT2009
Co-requisites
-
PRA3018
Recommended
MAT2004 and/or MAT2008 and/or MAT2009
Recommended reading
- McIntyre, David H. Quantum mechanics: A paradigms Approach. Pearson Education;
- McQuarrie, Donald A., and Simon, John D. Physical Chemistry: A Molecular Approach (any edition). University Science Books.