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Theoretical Physics

Electronic structure theory

This course is aimed at giving a theoretical background behind state-of-the-art methods for quantum simulations (e.g. VASP, CASTEP, etc.). 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 the methods will be complemented with computer exercises in which these methods will be applied. During these practical classes the students will run a few simulations using existing packages, like KKR-ASA 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, elementary knowledge in quantum physics is assumed.

Contact:
Igor Abrikosov, Professor, Theoretical Physics,
Department of Physics and Measurement Technology (IFM),
Linköpings University
SE-581 83 Linköping
Phone: +46(0)-13-285650
Office location: Fysikhuset, F310
e-mail: Igor.Abrikosov@ifm.liu.se