Theoretical chemistry II: Reaction dynamics


  • Classical dynamics
  • Quantum treatment of molecular vibrations
    • Time independent methods, stationary states
    • Temporal development of wavepackets
  • Applications: quantum dynamical calculation of molecular
    • Eigenfunctions
    • Spectra
    • Scattering matrices
    • Rate constants k(T)


  • Basic understanding of the central pieces of theoretical reaction dynamics
  • Familiarity with vibrational eigenfunctions and moving wavepackets
  • Get a feeling for what and how things can be calculated, with how much effort, and how accurate

Course material
TC-II scriptderivations