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Advanced Kinetics
Last Updated: 2026-02-05 16:07:46
Abstract
This lecture covers the theoretical and conceptual foundations of quantum dynamics in molecular systems. Particular attention is taken to derive and compare quantum and classical approximations which can be used to simulate the dynamics of molecular systems and the reaction rate constant used in chemical kinetics.
Objective
The theory of quantum dynamics is derived from the time-dependent Schrödinger equation. This is illustrated with molecular examples including tunnelling, recurrences, nonadiabatic crossings. We consider thermal distributions, correlation functions, interaction with light and nonadiabatic effects. Quantum scattering theory is introduced and applied to discuss molecular collisions. The dynamics of systems with a very large number of quantum states are discussed to understand the transition from microscopic to macroscopic dynamics. A rigorous rate theory is obtained both from a quantum-mechanical picture as well as within the classical approximation. The approximations leading to conventional transition-state theory for polyatomic reactions are discussed. In this way, relaxation and irreversibility will be explained which are at the foundation of statistical mechanics. By the end of the course, the student will have learned many ways to simplify the complex problem posed by quantum dynamics. They will understand when and why certain approximations are valid in different situations and will use this to make quantitative and qualitative predictions about how different molecular systems behave.
Resources
Lecture Notes
Will be available online.
Literature
D. J. Tannor, Introduction to Quantum Mechanics: A Time-Dependent Perspective R. D. Levine, Molecular Reaction Dynamics S. Mukamel, Principles of Nonlinear Optical Spectroscopy
Learning Materials (Links)
- Main link
- Lecture notes and exercises
- Additional links
- Zoom lectures
General Information
- Language
- English
- Levels
- BSC , MSC
- Frequency
- Yearly recurring
Examination
- Type
- session examination
- Mode
- oral 30 minutes
Course Components
| Type | Title | Time & Place | Hours |
|---|---|---|---|
| lecture with exercise |
Advanced Kinetics
Die Lehrsprache wird in Absprache mit den Teilnehmenden festgelegt (Deutsch oder Englisch)
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|
3 h weekly |
Offered In
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Electives (Students are free to choose from a range of D-CHAB chemistry courses appropriate to their level of study (please note admission requirements). In case of doubt, contact the student administration.)
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Electives (The Bachelor's programme in Interdisciplinary Sciences allows students to choose from any subject taught at a Bachelor's level at ETH Zurich. In consultation with the Director of Studies of Interdisciplinary Sciences, every student must establish his/her own individual study programme at the beginning of the 2nd year. See the Programme Regulations 2018 for further details.)
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General Electives (Students may choose General Electives from the entire course programme of ETH Zurich - with the following restrictions: courses that belong to the first or second year of a Bachelor curriculum at ETH Zurich as well as courses from GESS "Science in Perspective" are not eligible here. The following courses are explicitly recommended to physics students by their lecturers. (Courses in this list may be assigned to the category "General Electives" directly in myStudies. For the category assignment of other eligible courses keep the choice "no category" and take contact with the Study Administration ( ) after having received the credits.))
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