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Electronic structure of solid state. Methods of calculation. Electronic structure of thin films. New methods in calculation of electronic structure of magnetic systems.
Last update: T_KFNT (22.05.2001)
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Zkouška probíhá ústní formou. Požadavky ke zkoušce odpovídejí sylabu předmětu v rozsahu, který byl prezentován na přednášce. Last update: Chlan Vojtěch, doc. RNDr., Ph.D. (12.06.2019)
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1/ General Hamiltonian of the solid state.
2/ Reduction of the many body problem on a single particle problem.
3/ Hartree and Hartree-Fock approximations. Spin-polarized Hartree-Fock method. Electronic structure of atoms in Hartree-Fock approximation.
4/ Beyond the single particle approximation – atomic multiplets.
5/ Density functional theory, local spin density approximation.
6/ Comparison of Hartree-Fock and local spin density approximations.
7/ Electronic structure of crystals. Reciprocal space, Brillouin zones, Fermi surface.
8/ Methods of electronic structure calculation – a survey.
9/ Tight binding method. Full potential linearized augmented plane wave (FPLAPW) method.
10/ Specific example of electronic structure calculation using FPLAPW method as implemented in the most recent version of the WIEN code.
11/ Electronic structure of a thin film. Analysis and discussion of results. Magnetic thin films.
12/ New methods in electronic structure calculation of magnetic systems – LDA+U, self-interaction correction, orbital polarization, dynamical mean field theory.
Last update: KFNTPN (24.05.2004)
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