Computational Electronic Structure Theory

Dr. Patrick Rinke
Wahllehrveranstaltung 3233 L 350.

Homepage of lecturer [1] at the Fritz-Haber-Institut incl. lecture script

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.

• Introduction: from the Schrödinger and Dirac equation to accurate, systematic approximations to quantum-mechanical "first principles"
  

• Wavefunction-based techniques: outlook on Quantum Chemistry, Hartree-Fock, Moeller-Plesset perturbation theory
  

• Density-functional theory: basics, success and limitations in theory and practice

• Green's function techniques: quasiparticle excitations, band structures

VL: Mo 10:00-12:00 im EW 731

Leistungspunkte: 3 LP
Diese Vorlesung ist Teil des Wahlpflichtfaches "Theoretische Festkörperphysik I, II" (3233 L 310). Zusammen mit der L 310 und L 311 werden insgesamt 12 Leistungspunkte erreicht.