Masters course:

Quantum Dynamics (FBB3130)

Course credits: 7.5 ETCS-Points

Area: Spectroscopy
Level: Graduate course

Aim:
Quantum dynamics is the background of molecular and optical physics, which has impact in different fields, from molecular dynamics and light propagation to different applications like quantum computing, molecular electronics and material sciences. The QD is the front page of modern physics and chemistry due to ultrashort laser infra-red and optical sciences pulses (from femtosecond to attosecond time domains). Femtosecond x-ray pulses are already available in FLASH (Hamburg) and Stanford Linear Accelerator Center. This new source of ultra-short x-ray pulses opens unique opportunity to map molecular dynamics with the Ångström resolution which of crucial importance in material sciences and biology. "Quantum dynamics" gives students important concept of the dynamics of different physical chemical processes. The course is intended for anyone who wishes to learn the current state of ultrafast phenomena in chemistry and physics.

Syllabus:

• Stationary Schrödinger equation. Born-Oppenheimer approximation. Electronic and nuclear degrees of freedom.
• Time-dependent Schrödinger equation. Harmonic oscillator. Dissociation.
• General properties of the wave-packet: Quantum versus classical dynamics. Revival phenomenon.
• Dynamics of the Interaction between photons and molecules. Fermi Golden rule. Franck-Condon principle..
• Mechanisms of the relaxation of excited electronic state. Dynamics of photoabsorption and fluorescence. Mechanisms of the spectral line broadening.
• Dynamics of the Raman scattering and Kramers-Heisenberg equation. Duration of the light scattering.
• Numerical computations.
• Dynamics of the molecules in strong laser field. Density matrix formalism and Maxwell's equations.
• Radiative damage. Multi-photon ionization and dissociation of molecules.
• Dynamics of pulse propagation. Area theorem.
• Self-seeded Stimulated Raman scattering. Four-wave mixing. Slowdown and compression of the pulse. Numerical computations.
• Time-resolved structure determination.

Prerequisites:


• Three years at the School of Chemistry, Chemical Engineering and Biotechnology, KTH, or equivalent.
• Courses in Quantum Mechanics, Quantum Chemistry and Molecular Modeling are helpful.
• Some basic experience with computers.

Requirements:

1. Written exam.
2. Written report for the computer exercises.

Required reading:

1. Reinhard Schinke, Photodissociation Dynamics, Cambridge University Press, Cambridge, 1995
2. Distributed Notes.
3. Sune Svanberg, Atomic and Molecular Spectroscopy, Springer-Verlag, Heidelberg, 2001.

Course responsible: Faris Gel'mukhanov, tel. 5537 8419, faris@theochem.kth.se