Quantum Dynamics

5 credits

Syllabus, Master's level, 1KB553

Code
1KB553
Education cycle
Second cycle
Main field(s) of study and in-depth level
Chemistry A1N
Grading system
Fail (U), Pass (3), Pass with credit (4), Pass with distinction (5)
Finalised by
The Faculty Board of Science and Technology, 30 August 2018
Responsible department
Department of Chemistry - Ångström

Entry requirements

120 credits including basic course in quantum mechanics or equivalent. Proficiency in English equivalent to the Swedish upper secondary course English 6.

Learning outcomes

On completion of the course, the student should be able to:

  • analyse wave packet dynamics by means of correlation functions
  • describe the difference between quantum dynamics in harmonic and in anharmonic systems
  • use numerical methods to solve the time-dependent Schrödinger equation for model systems of relevance within chemistry and physics
  • describe and compare in terms of accuracy and efficiency different numerical methods for progagating wave packets.

Content

Time-dependent Schrödinger equation. Wave packets. Correlation functions. Harmonic and anharmonic oscillators. Phase space and Wigner transformation. Potential surfaces. Diabatic and adiabatic representation. Time-dependent perturbation theory. Fermi's Golden Rule. Numerical solution of the Schrödinger equation. Applications to chemical physics.

Instruction

Lectures, problem solving sessions and laboratory work.

Assessment

Laboratory sessions, 2 credits and written assignments, 3 credits.

If there are special reasons for doing so, an examiner may make an exception from the method of assessment indicated and allow a student to be assessed by another method. An example of special reasons might be a certificate regarding special pedagogical support from the disability coordinator of the university.

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