Inhalt des Dokuments
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.