School of Physics

Computational Quantum Mechanics

Lecturers: Prof. Igor Bray (Curtin) and Prof. Jingbo Wang


This course deals with the theoretical and computational aspects of
particle interactions on the atomic scale. Starting from the
understanding of the non-relativistic structure of the hydrogen atom,
a formal Quantum Mechanical treatment of collision physics in three
dimensions is developed. The course has the formal theory intertwined
with computational laboratory work to ensure that the student has
both a formal understanding, and the ability to perform calculations
yielding results of practical importance. Together, these skills will
be of immense value to students interested in theoretical and
computational physics and chemistry, as well as engineering.

This course consists of two separate modules (3pts each) with emphasis on
formal theory and computation, respectively. Students can take both
or one of the modules.

The first module gives the formal Quantum Mechanical description of
collisions in atomic physics, cast in a way suitable for computation. The
development is traditional, utilising experimental evidence, but with a
modern mathematical description including Dirac notation. The aim of the
course is to first provide a general Quantum Mechanical framework, and then
to take the student to the current state of research in the area.

The second module provides an introduction to the main computational
techniques used in solving practical problems in physical sciences.
It is designed to help the students learn by doing, thus a
significant fraction of the students' time will be spent actually
programming specific physical problems. No prior programming
experience is assumed. In completing this course, students become
accustomed to a modern computer environment of UNIX workstations,
have a basic working knowledge of the programming language Fortran90/95,
and learn some basic numerical techniques commonly used to solve
problems in physics, chemistry, and engineering.