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Dichtefunktionaltheorie

Dichtefunktionaltheorie
type: Vorlesung links: Student portal of KIT
chair: Fakultät für Chemie und Biowissenschaften
semester: Sommersemester 2010
time: Montag, 08:00-09:30 wöchentlich
HS I Chem (R 004) (Erdgeschoss)
30.41 Chemie-Flachbau
lecturer:

Marcus Elstner
Christoph Jacob
sws: 2

Lecture notes

  1. Non-interacting electrons, 26.04.2010 (Dowload notes)

     

  2. DFT problems, 14.06.2010 (Dowload notes),

    Excursus: static and dynamic correlation (Dowload notes)

     

  3. Density Functional Tight Binding (DFTB), 21.06.2010 (Download notes)

 

   4.  Fundamental problems of Quantum Chemistry, 12.07.2010 (Download notes)

Excursus:   Completeness of quantum mechanics (Download notes)

 

 

Practical Course: DFTB+

  1. DFTB-exercise 05.07.2010 (Worksheet as pdf and  DFTB+-Input files as tar.gz-file)