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Vorlesungsverzeichnis >> Naturwissenschaftliche Fakultät (Nat) >>
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Dichtefunktionaltheorie in der Festkörperphysik (DFT-FP)- Dozent/in
- Dr. Roland Gillen
- Angaben
- Vorlesung mit Übung
3 SWS, benoteter Schein, ECTS-Studium, ECTS-Credits: 5, Sprache Deutsch oder Englisch
Zeit und Ort: Di 15:00 - 17:00, HF
- Voraussetzungen / Organisatorisches
- The lecture gives an introduction to density functional theory and related methods and to applications in solid state physics. This will be complemented by hands-on tutorials using the Quantum Espresso DFT code. A background in solid state physics will be useful.
Lecture videos and (later) exercises/tutorials will be located at the StudOn course page: https://www.studon.fau.de/crs2967912.html
- Inhalt
- Problem with quantum-mechanical approaches for condensed matter systems
Introduction of Density Functional Theory Kohn-Sham ansatz and alternatives Exchange-correlation approximations Practical considerations for DFT: parameters, basis sets, pseudopotentials Application of DFT to the properties of 1D, 2D and 3D crystalline materials: electronic structure, phonons, magnetism, transport properties etc. Time-dependent DFT Highly accurate predictions from many-body perturbation theory: optical properties and quasiparticles
- Empfohlene Literatur
- -Electronic structure: Basic Theory and Practical Methods, by Richard Martin
-Density Functional Theory: A Practical Introduction, by David Sholl
-The ABC of DFT, by Kieron Burke
-A Primer in Density Functional Theory, edited by C. Fiolhais
- ECTS-Informationen:
- Credits: 5
- Zusätzliche Informationen
- Erwartete Teilnehmerzahl: 10
- Institution: Lehrstuhl für Experimentalphysik (Prof. Dr. Maultzsch)
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