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Theorie der chemischen Dynamik: Quantendynamik

Wintersemester 2019/2020

Lecture Tuesday 13:00-15:00 Uhr (c.t.) in room E0.013.
Credit points 3

This lecture is intended for students (incl. PhD students) who want to gain theoretical background about chemical reaction dynamics and their computational implementation. Successfully passed quantum chemistry I exams (TC3 or similar qualifications) are required.

propagation wavepacket

Table of Contents:

  • wave packet dynamics
  • autocorrelation functions
  • fourier transformation
  • propagators
  • pump probe spectroscopy
  • femtochemistry and control
Hands-on Sessions:
  • Introduction to MatLab
  • Practical implementation of the quantum dynamics of small systems (wavepacket dynamics)
  • Practical simulation of pump - probe spectra
Recommended Textbooks:
  • D. J. Tannor, Introduction to Quantum Mechanics: A Time-Dependent Perspective, University Science Books (2007), ISBN 1-891389-23-8.

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