Prospectus

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Quantum Reaction Dynamics (QRD)

Course
2024-2025

Admission requirements

Elective course in MSc Chemistry, MSc Life Science and Technology.
For students with a BSc in MST, LST or equivalent who have completed at least one course theoretical chemistry.

Description

We discuss how cross sections and probabilities for reaction can be calculated quantum mechanically for chemical reactions, based on three examples (two-dimensional model of the gas phase reaction A + BC → AB + C, photodissociation of a tri-atomic molecule, and the dissociation of a diatomic molecule on a surface). Subjects include: the scattering boundary conditions, the time-dependent and the time-independent Schrödinger equation, the stationary and the time-dependent wave function, the wave packet method, the choice of the initial wave packet, the propagation of the time-dependent wave function, the representation of the wave function and the action of the Hamiltonian operator on the wave function, and the asymptotic analysis. We also discuss several applications of the theory.

Course objectives

After the course, students:

  • have a basic knowledge of the time-dependent wave packet (TDWP) method for molecule-surface reaction dynamics

  • are able to read and analyse specialist literature within the field of molecule-surface reaction dynamics, photodissociation dynamics, and gas phase reaction dynamics

  • are able to interrelate theoretical and experimental work done on similar systems

  • can present orally a resume of a scientific article from the field with aid of presentation software (e.g. MS PowerPoint) highlighting crucial aspects and including relevant details

  • can articulate critical questions and accurate answers about the contents of such scientific articles

  • can explain various types of motivations used to justify research performed in this field

Timetable

Schedule information can be found on the website of the programmes.

In MyTimetable, you can find all course and programme schedules, allowing you to create your personal timetable. Activities for which you have enrolled via MyStudyMap will automatically appear in your timetable.

Additionally, you can easily link MyTimetable to a calendar app on your phone, and schedule changes will be automatically updated in your calendar. You can also choose to receive email notifications about schedule changes. You can enable notifications in Settings after logging in.

Questions? Watch the video, read the instructions, or contact the ISSC helpdesk.

Note: Joint Degree students from Leiden/Delft need to combine information from both the Leiden and Delft MyTimetables to see a complete schedule. This video explains how to do it.

Mode of instruction

Discussion meetings

Assessment method

Oral exam (70%) and presentation by students (30%).

The oral exam may be changed to a written exam if a large number of students enroll in the course. Students must give their presentation, and must obtain at least a 5.0 for this presentation, to be allowed to sit the exam. The students also must attend at least 80% of the discussion meetings.

Reading list

Reader (lecture notes) on the time-dependent wave packet method, and scientific articles.

Registration

As a student, you are responsible for enrolling on time through MyStudyMap.

In this short video, you can see step-by-step how to enrol for courses in MyStudyMap.
Extensive information about the operation of MyStudyMap can be found here.

There are two enrolment periods per year:

  • Enrolment for the fall opens in July

  • Enrolment for the spring opens in December

See this page for more information about deadlines and enrolling for courses and exams.

Note:

  • It is mandatory to enrol for all activities of a course that you are going to follow.

  • Your enrolment is only complete when you submit your course planning in the ‘Ready for enrolment’ tab by clicking ‘Send’.

  • Not being enrolled for an exam/resit means that you are not allowed to participate in the exam/resit.

Contact

Prof. dr. G.J. Kroes

Remarks

Assignment deadlines are communicated via Brightspace.

This biennial course will not be given in 2023-24. Shown above is the course description for 2022-23 as reference. The course is scheduled again for academic year 2024-25.

Software
Starting from the 2024/2025 academic year, the Faculty of Science will use the software distribution platform Academic Software. Through this platform, you can access the software needed for specific courses in your studies. For some software, your laptop must meet certain system requirements, which will be specified with the software. It is important to install the software before the start of the course. More information about the laptop requirements can be found on the student website.