Theory of Spectroscopy and Molecular Properties
[1 SWS; Prof. Dr. J. Neugebauer/Dr. Ch. Mück-Lichtenfeld]

* Static molecular properties
* Radiation-molecule interactions
* Time-Dependent Density Functional Theory (TDDFT)
* Properties from TDDFT: Polarizabilities, transition moments, UV/Vis spectra
* Perturbation Theory of Intermolecular Forces
* Conceptual DFT: Chemical Properties Derived from ρ

"Theory of Spectroscopy and Molecular Properties" 
[1 SWS, Prof. Dr. Johannes Neugebauer, Dr. Christian Mück-Lichtenfeld (OC-Institut, FB Chemie & Pharmazie)]

Topics:

* Static (frequency-independent) molecular properties
  - as expectation values
  - from perturbation theory
  - as energy derivatives (coupled-perturbed Hartree--Fock/Kohn--Sham)

* Dynamic (frequency-dependent) properties:
  - radiation-molecule interactions
  - time-dependent density functional theory (TDDFT)
  - properties from TDDFT: Polarizabilities, transition moments, UV/Vis spectra

* Perturbation Theory of Intermolecular Forces

* Conceptual DFT: Chemical properties derived from the electron density

Kurs im HIS-LSF