Lernergebnisse / Kompetenzen:Acquisition of the skill to apply existing computer programs for carrying out electron structure calculations, thesimulation of observable molecular spectra, and theoretical prediction of other measurable molecular properties,and of the skill to optimize the numerical procedures employed in these computer programs

Inhalte:Electronic structure of molecules; Analytical representations of potential energy surfaces; interaction betweenelectronic states; Simulation of molecular spectra; Optimization of numerical procedures employed in existingprograms for the simulation of molecular spectra.