Mikrostruktur und mechanische Eigenschaften
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Application and Implementation of Electronic Structure Methods
This course will introduce the
theoretical background of electronic structure methods and enable the
participants to write their own electronic structure program. The
course will cover all necessary steps to write a tight-binding or basic
plane-wave pseudo-potential program as exemplary electronic structure
methods. In particular the following aspects will be included:
– Introduction into basic programming concepts,
– Implementation of the Hamiltonian and total energy calculation,
– Introduction into plane wave pseudo-potential method,
– Minimization techniques,
– Band structure and density of states.
When the course is finished the participant is expected to be able to
– Formulate and describe the foundation of density functional theory (DFT),
– Describe the most common approximations employed in DFT,
– Contribute to the implementation of a DFT code.

Quantum Mechanics in Material Science
 

04.04.2011 – 11.07.2011

• Monday 09:00 – 11:15 NB 4/158

Interfaces and surfaces

07.04.2011 – 14.07.2011

• Monday 13:00 – 15:00 UHW 12/1230
• Thursday 10:00 – 12:00 UHW 12/1230