Computational methods in Solid state physics

Sommersemester 2017
Dozent: Maurits W. Haverkort
Link zum LSF
10 Teilnehmer/innen

During this lecture you will be introduced to several numerical methods to calculate material properties in Solid state physics. The focus will be on the hands on usage of different codes. We will use two main numerical methods, namely Density functional theory for the basic electronic structure on a mean-field level and exact diagonalization using different optimisation schemes (configuration interaction and restricted active spaces based) for electronic properties that are not well represented in a mean-field approximation.

 

The two codes used will be FPLO for density functional theory and Quanty for the many body calculations.

 

The course will consist of one theory background lecture per week (Mondays) and one tutorial in the computer room per week (Thursdays). The examination will be based on homework problems where you will need to calculate properties of specific materials and hand in small reports describing your calculations and results.