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Electronic Structure Theory

Course start: Friday, October 14, 2011, kl. 10, Mott (G403)

This course is aimed at giving a theoretical background behind state-of-the-art methods for quantum simulations of materials properties. A series of 10 lectures will be devoted to the basics of the solution of the electronic structure problem in solids using plane wave basis sets and all-electron techniques. The course is based on the book by R. M. Martin "Electronic Structure. Basic Theory and Practical Methods" (Cambridge University Press, Cambridge, 2004). The lectures introducing theoretical methods will be complemented with computer exercises in which these methods will be applied. During these practical classes the students will run mini-projects (see attached description), which include several simulations using existing packages, like BGFM and VASP, to apply the techniques discussed in the lectures and be acquainted with these packages. The course does not assume any previous knowledge in first-principles simulations. However, an elementary knowledge in quantum and solid state physics is assumed.

 

We plan for 1 lecture class per week.

Lectures will be given by Prof. Igor Abrikosov.

Starting from November the computer classes will be given by Dr. Weine Olovsson and Olga Vekilova.

   

Please, sign for the course by sending an e-mail to  igor.abrikosov@ifm.liu.se

  

Course program

Computational projects

 

You are most welcome.

 


Responsible for this page: Fei Wang

Last updated: 09/20/11