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Theoretical Photochemistry

Winter semester 2018/19


The lecture Theoretical Photochemistry as well as the accompanying exercises are held in English.

The first lecture takes place on Wednesday 17 October 2018 at 10:15 in seminar room N100/015.

The course is delivered by two lecturers:

During the semester, Prof. Burghardt holds lectures comprising one hour (Wednesday 10:15-11:15).

From 18/02-21/02/2019, Prof. Keith Hughes (Bangor University, UK) is going to hold the second part of the lectures as a block course (5 x 4 hours): 10:15-11:45 and 16:15-17:45 from Monday to Friday (Room OSZ S4 except for Monday 10:15-11:45 OSZ S5)

The weekly exercise session (Dr. David Picconi) is held on Thursday 9-10h (room S2/OSZ)

Exam date: Wednesday 20/03 10:00-12:00 (room N100/015)
Repeat exam date: Thursday 11/04 10:00-12:00 (lecture hall H5/OSZ)
A second repeat exam is scheduled for Tuesday 4 June 2019 from 15:00-17:00 (room N140/107)


Lecture notes WS 2018/19 as PDF files:

(last update: 17.10.2018) Introduction: Photophysical processes & wavepackets
(last update: 28.10.2018) Born-Oppenheimer approximation & beyond
(last update: 06.11.2018) Adiabatic vs. diabatic representation
(last update: 21.11.2018) Non-crossing rule, conical intersections
(last update: 27.11.2018) Examples: Ethylene, Protonated Schiff Bases, Photoactive Yellow Protein
(last update: 07.12.2018) Electronic structure overview: Hartree Fock theory
(last update: 07.12.2018) Electronic structure overview: Configuration interaction (part I)
(last update: 11.12.2018) Electronic structure overview: Configuration interaction (part II)
(last update: 11.12.2018) Electronic structure overview: Notes on correlations
(last update: 18.12.2018) Electronic structure overview: Density Functional Theory
(last update: 15.01.2018) From electronic structure to dynamics: Which methods work?
(last update: 30.01.2018) More on quantum dynamics and Gaussian wavepackets
(last update: 05.02.2018) Photochemistry of porphyrins: Free-base porphyrins
(last update: 05.02.2018) Photochemistry of porphyrins: CO photolysis in myoglobin
(last update: 12.02.2018) Photoregulation of DNA/RNA by azobenzene switches
(last update: 22.02.2018) Interaction with light: part I (K. H. Hughes)
(last update: 22.02.2018) Interaction with light: part II (K. H. Hughes)
(last update: 22.02.2018) Interaction with light: part III (K. H. Hughes)
(last update: 22.02.2018) Interaction with light: part IV (K. H. Hughes)
(last update: 22.02.2018) Excitation energy transfer (K. H. Hughes)
(last update: 22.02.2018) Spin-orbit coupling (K. H. Hughes)
(last update: 22.02.2018) Coherence and dephasing (K. H. Hughes)
(last update: 22.02.2018) Quantum dynamics in phase space (K. H. Hughes)

Exercises:

(last update: 17.10.2018) Exercise 1Solutions
(last update: 28.10.2018) Exercise 2Solutions
(last update: 06.11.2018) Exercise 3Solutions
(last update: 17.11.2018) Exercise 4Solutions
(last update: 21.11.2018) Exercise 5Solutions
(last update: 24.11.2018) Exercise 6Solutions
(last update: 07.12.2018) Exercise 7Solutions
(last update: 15.01.2019) Exercise 8Solutions
(last update: 22.01.2019) Exercise 9Solutions
(last update: 29.01.2019) Exercise 10Solutions
(last update: 05.02.2019) Exercise 11Solutions
(last update: 21.02.2019) Exercise 12Solutions