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Electronic Structure Theory

Wahllehrveranstaltung 3233 L 550 für Studierende im Physik Master im Wintersemester 2013/2014.

Vorlesung: Mi 14-16, Ew 203

Dozent: Patrick Rinke

Inhalte der Vorlesung:

This lecture introduces important concepts for the computational prediction of materials properties that derive from the quantum-mechanical distribution and interaction of electrons - the electronic structure. Starting from the Schrödinger equation, common approaches to calculate the electronic structure of materials will be derived, such as Hartree-Fock, density-functional theory, wave-function and Green's function techniques. With these, quantum mechanical insight into matter can be gained, for instance the cohesive properties of solids, bonding in molecules, excitations, band structures, etc.

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