Quantum dynamics, NWI-SM295, April 2023, 3EC

Lecturer: Gerrit Groenenboom

June 14, 2024 version of : lecture notes

Computer assignment reports are due:

Python GUIs to play around with

To gain more insight and a feeling for scattering, we created Python GUIs for Assignments 2 and 3. The code itself is obfuscated, but can be run in any Python 3 environment, although it is dependent on several Python packages.

The GUI for Eckart Tunneling can be downloaded here as a .py file. This plots the Eckart barrier and corresponding scattering wave function. Variables can be adjusted for the numerical grid, the potential itself and for the propagation of a wave packet (an electron colliding with the barrier). All values are in atomic units.

The GUI for He-Xe scattering can be downloaded here. This plots the total elastic cross section, the radial scattering wave function, the differential cross section and angle-dependent wave function for the He-Xe potential. Blue lines in the ICS and DCS correspond to the contribution of a single L.

Instructions for computer assignment reports

The computer program must be handed in together with a brief report (brightspace). The report should contain enough detail so that someone who has not seen the assignment can read the report and understand which equations are solved by the computer program, and how. All the parameters that were used must be given, so that it would be possible to reproduce the results, without looking at the program. There is no need, however, to include derivations and general theory that can be found in the lecture notes. An example of such a report (without the code though), is this report on a particle-in-a-box time-dependent wave packet.

Also, carefully read the Writing tips for a report. In particular, read the checklist for report on that page. The abstract/introduction/conclusions etc is not necessary for the computerassignment report.

Lectures

Exercises

Exam example

Exam 21 July 2014

You are allowed to prepare one double sided printout with equations and use it during the exam

References

HTML5-validator Last updated: May 24, 2024, by Gerrit C. Groenenboom, e-mail: gerritg at theochem dot ru dot nl