Master’s studies

Syllabus for Molecular Chemical Physics

Molekylär kemisk fysik

Syllabus

  • 10 credits
  • Course code: 1KB558
  • Education cycle: Second cycle
  • Main field(s) of study and in-depth level: Chemistry A1F, Physics A1F
  • Grading system: Fail (U), 3, 4, 5.
  • Established: 2014-03-13
  • Established by: The Faculty Board of Science and Technology
  • Applies from: week 30, 2014
  • Entry requirements: 120 credits with 90 credits in chemistry and physics. Basic courses in quantum mechanics and statistical thermodynamics together with Chemical Bonding and Computational Chemistry, 10 credits, or equivalent.
  • Responsible department: Department of Chemistry - Ångström Laboratory

Learning outcomes

After completing the course the student should be able to:

  • use quantum mechanical formalism, with basic models and approximations, to solve problems with relevance to chemical physics
  • explain and discuss common models for molecular collision dynamcis and reaction dynamics, microscopic kinetics in both gas and solution phases, as well as solve theoretical and numerical problems with the help of relevant theories.
  • use statistical thermodynamics to explain activated complex theory
  • account for different experimental methods and their limitations for the study of fast processes as well as solve solve relevant problems based on experimental data
  • explain and discuss models for electron and proton transfer reactions, vibrational energy transfer and relaxation.

Content

Quantum mechanical formalism, Dirac notation. Perturbation thoery. Scattering theory, tunnelling effect and chemical reactions. Molecular vibrations and the harmonic oscillator. The Born-Oppenheimer approximation and potential surfaces. Time-dependent Schrödinger equation and quantum dynamics. Wavepackets. Fermi's Golden Rule, transition probabilities and photoinduced reactions. Coupled potential surfaces and the Landau-Zener method. Reaction dynamics in gas phase and in solution. Ultrafast processes. Electron and proton transfer. Intramolecular vibration relaxation and distribution.

Instruction

Lecture, seminars and laboratory exercises.

Assessment

Written and oral examination (9 HE credits). Laboratory exercises (1 HE credit).

Reading list

Applies from: week 30, 2014

  • Atkins, P. W.; Friedman, R. S. Molecular quantum mechanics

    5th ed.: Oxford: Oxford University Press, 2011

    Find in the library

  • Levine, Raphael D. Molecular reaction dynamics

    Cambridge: Cambridge University Press, 2005

    Supplementary material.

    Find in the library