Jeremy Richardson: Katalogdaten im Frühjahrssemester 2021

NameHerr Prof. Dr. Jeremy Richardson
LehrgebietTheoretische Molekulare Quantendynamik
Inst. Mol. Phys. Wiss.
ETH Zürich, HCI D 267.3
Vladimir-Prelog-Weg 1-5/10
8093 Zürich
Telefon+41 44 633 46 36
DepartementChemie und Angewandte Biowissenschaften
BeziehungAusserordentlicher Professor

529-0442-00LAdvanced Kinetics Information 6 KP3GJ. Richardson
KurzbeschreibungThis 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.
LernzielThe 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.
SkriptWird online zur Verfügung gestellt.
LiteraturD. J. Tannor, Introduction to Quantum Mechanics: A Time-Dependent Perspective
R. D. Levine, Molecular Reaction Dynamics
S. Mukamel, Principles of Nonlinear Optical Spectroscopy
Voraussetzungen / Besonderes529-0422-00L Physikalische Chemie II: Chemische Reaktionskinetik
529-0479-00LTheoretical Chemistry, Molecular Spectroscopy and Dynamics1 KP2SF. Merkt, M. Reiher, J. Richardson, R. Signorell, H. J. Wörner
KurzbeschreibungSeminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)
LernzielSeminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)
529-0499-00LPhysical Chemistry1 KP1KB. H. Meier, A. Barnes, M. Ernst, P. H. Hünenberger, G. Jeschke, F. Merkt, M. Reiher, J. Richardson, R. Riek, S. Riniker, T. Schmidt, R. Signorell, H. J. Wörner
KurzbeschreibungSeminar series covering current developments in Physical Chemistry
LernzielDiscussing current developments in Physical Chemistry
529-0809-00LTheoretical Chemistry Seminar0 KP2SM. Reiher, J. Richardson
KurzbeschreibungSeminar on recent developments in Theoretical Chemistry presented by guest speakers.
LernzielDoktorats- und Mitarbeiterschulung
InhaltVariiert nach aktuellem Stand der Forschung
LiteraturWill be announced on