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Theory of Intermolecular Forces

Dr. Alexandre Tkatchenko
Wahllehrveranstaltung 3233 L 510.

Inhalte der Vorlesung

VL: Mo 14:00-16:00 im EW 203

Intermolecular forces are present in all gases, liquids, and solids and their study
is important to understand a wealth of phenomena in nature. Recent years have seen substantial progress in the qualitative understanding and quantitative modeling of intermolecular forces. This course will give a tutorial introduction into the different types of intermolecular forces and at the same time describe the state-of-the-art in the modeling of these forces in realistic materials. Subjects to be covered include:


  1. Electrostatic, polarization, and van der Waals dispersion interactions
  2. Many-body effects in polarization and dispersion interactions
  3. Methods for modeling intermolecular forces: quantum chemistry, many-body perturbation theory, density-functional theory, semi-empirical and empirical approaches
  4. The role of nuclear quantum effects in intermolecular interactions
  5. Emergent macroscopic behavior as a result of (simple) intermolecular forces



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