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Density Functional Theory
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Roser Valenti SS 2024
General Information
Olat Portal
Lecture
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Mo 13:15 -16:00 Phys 01.114 (with breaks),
the lecture is in english and is a combination of lecture and exercises.
Please note that we start at 13:15.
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Beginn:15.4.2023
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Script
The script will be uploaded every week in OLAT.
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Exercises
Every week / second week there will be an exercise sheet.
- the solutions should be handed on Monday.
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For the final examination:
- 60% of the exercise points should be reached.
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Exercises
For questions, please contact the tutors:
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Jonas Profe, Panagiotis Savropoulos
Description
In this lecture we will introduce density functional theory as a basic method
to understand and investigate the
electronic properties of solid state systems as well as
a few many-body methods in order to describe correlation
effects, such as dynamical mean field theory.
We will provide a hands-on electronic structure calculations.
Contents
- Hamilton operator for a solid
- Electron-electron interaction
- Density functional theory
- Solving the Kohn-Sham equations
- The APW method and applications
- Green's function formalism - Response Theory
- Dynamical mean field theory
- Beyond LDA: LDA+DMFT
Literature
- Richard M. Martin "Electronic Structure" Basic Theory and Practical Methods. Cambridge Univ. Press, 2020.
- E. Engel, R. M. Dreizler: "Density Functional Theory" Springer, 2011
- S. Cottenier: Density functional theory and the Family of (L)APW-methods: a step-by-step introduction,
script, 2013.
- H. Eschrig: "The fundamentals of Density Functional Theory", Teubner Texte zur
Physik, 1996.
- R. M. Martin, L. Reining, D.M. Ceperley: "Dynamical mean-field theory", Cambridge
University Press, 2016.
- A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg Rev. Mod. Phys. 68, 13
(1996): "Dynamical mean-field theory of strongly correlated fermion systems and the
limit of infinite dimensions".
Exercise sheets will be posted in OLAT
Olat Portal
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