Computational and Theoretical Chemistry 2, NWI-MOL176 (3EC)

Lecturer: Prof. Gerrit C. Groenenboom
It is assumed you participated in CTC1.
This course replaces the "Quantum Theoretical Chemistry'' course that was taught until 2022.

Computer assignments


(Topics with section numbers in Lecture notes)


Practice exam

Download pdf. The answers will be made available on brightspace.

Instruction for computer assignment reports

The computer program must be handed in (by e-mail to gerritg at, together with a brief report. 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.

There are more hints for writing reports here. In particular, read the "checklist for report". The abstract/introduction/conclusions etc is not necessary for the computerassignment report.

HTML5-validator Last updated: 10-Apr-2024, by Gerrit C. Groenenboom.