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Theorie der chemischen Dynamik: Molekulardynamik

Theorie der chemischen Dynamik: Quantendynamik

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Theorie der chemischen Dynamik: Quantendynamik

Wintersemester 2023/2024

Lecture Tuesday 10:00-12:00 Uhr (c.t.) in D0.001.
Credit points 3

The first lecture will take place on 24.10.2023.

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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