SS 2016 WS 2015
SS 2015
SS 2014 WS 2014
Department of Physics
open chemistry
KVL / Klausuren / MAP 1st HS: 13.04  2nd HS: 25.05 18.07  begin WS: 10.10

4020150042 Hands-on tutorial on density-functional theory (2nd HS)  VVZ 

Thu 9-11
weekly NEW 15 1'427 (24) Caterina Cocchi

Digital- & Präsenz-basierter Kurs

classroom language
Basics of solid-state physics.
structure / topics / contents
The purpose of this hands-on tutorial is to learn the basic elements of density-functional theory calculations. The all-electron full-potential code exciting, developed in house within the AG Draxl, will be used.

The main topics are:
1. Getting started
2. Electronic structure calculations
3. Structure optimization
4. Calculations on simple molecules
5. Exchange-correlation functionals
6. Phonons and thermal properties
7. Elastic properties
8. Magnetic properties
9. Time-dependent density-functional theory
10. Electronic structure from GW
11. Bethe-Salpeter equation
12. Raman scattering
assigned modules
amount, credit points; Exam / major course assessment
0 SWS, 0 SP/ECTS (Arbeitsanteil im Modul für diese Lehrveranstaltung, nicht verbindlich)
The tutorial is meant to be a block seminar in the second part of the semester, which will take place in the computer pool.
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