Quantum Dynamics
Course infoSchedule
Course moduleNWI-SM295
Credits (ECTS)3
CategoryMA (Master)
Language of instructionEnglish
Offered byRadboud University; Faculty of Science; Moleculaire Wetenschappen;
prof. dr. ir. G.C. Groenenboom
Other course modules lecturer
prof. dr. ir. G.C. Groenenboom
Other course modules lecturer
Contactperson for the course
prof. dr. ir. G.C. Groenenboom
Other course modules lecturer
prof. dr. ir. G.C. Groenenboom
Other course modules lecturer
Academic year2022
KW4  (10/04/2023 to 31/08/2023)
Starting block
Course mode
Registration using OSIRISYes
Course open to students from other facultiesYes
Waiting listNo
Placement procedure-
The student is able to
  • understand the derivation of the concepts listed under "contents"
  • write computer programs to compute
    • one-dimensional bound states and ro-vibrational states of diatomic molecules
    • one-dimensional tunneling cross sections
    • three-dimensional elastic scattering
The topic of this course is the quantum mechanical description of nuclear motion. Even though nuclei are much heavier then electrons many phenomena involving nuclear motion, such as vibrational zero point energy, tunneling, resonances, and quantized rotation, cannot be described by classical mechanics.
This course starts with the coupled electronic and nuclear motion in molecules and the Born-Oppenheimer approximation required to disentangle them. Nuclear motion involves bound states, describing  rotation and vibration and continuum states, describing collisions of atoms and molecules. Time-dependent and time-independent description of nuclear motion is possible, and they form the basis of different computation approaches.
When possible, the concepts are introduced in one-dimensional examples. Mathematical derivations are given and numerical methods to solve quantum dynamical problems are discussed. Computer assignments are given in which the theory can be applied to solve actual quantum dynamical problems.

Instructional Modes
The level of math is high compared to most chemistry courses.
Presumed foreknowledge
Quantum Mechanics (NWI-MOL155)/Quantum Mechanics 1 & 2 (NWI-MOL041 & NWI-MOL046), and Chemical Bonding (NWI-MOL056).
It is also strongly recommended to first attend the bachelor elective course Quantum Theoretical Chemistry (NWI-MOL112).

Physics students are also welcome to attend this course. A bachelor in physics should be a sufficient background. It is still recommended to attend the Quantum Theoretical Chemistry course first, but if you are specifically interested in molecular scattering theory you can follow this course without doing QTC first.
Test information
Three computer assignments and three hours written exam; the computer assignments must be completed before the exam. The grade is determined by the written exam.
The lectures are "responsie-colleges" (Q&A lectures). You are expected to study parts of the lecture notes indicated on the website of the course before the lecture. During the lecture the material will be discussed with active participation of the students and questions will be answered.
Recommended materials
For lecture notes and recommended literature see website: https://www.theochem.ru.nl/quantumdynamics

Instructional modes

Practical computer training

Attendance MandatoryYes

Test weight1
Test typeExam
OpportunitiesBlock KW4, Block KW4

Test weight0
Test typeAssignment
OpportunitiesBlock KW4