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Theory of Spectroscopy and Molecular Properties (TSMP)

Vak 2016-2017

Theory of Spectroscopy and Molecular Properties
Up to date schedule information

Elective course in the MSc Chemistry


Modern Quantum Chemistry, Theoretical Chemistry 1


Presentation or oral exam


The course covers the quantum mechanical details of spectroscopy and molecular property calculations. The main topics are:

  • Time-independent perturbation theory
  • Static molecular properties as energy derivatives
  • Time-dependent perturbation theory and dynamic properties
  • Fermi’s Golden Rule
  • Maxwell’s Equations
  • Radiation-matter interactions
  • Minimal coupling Hamiltonian
  • Electric-dipole approximation and optical transitions
  • Magnetic dipole and higher multipole transitions
  • Introduction to time-dependent self-consistent field theory


G.C. Schatz, M.A. Ratner, Quantum Mechanics in Chemistry; J.L. McHale, Molecular Spectroscopy, R.E. Moss, Advanced Molecular Quantum Mechanics; handout

Teaching Method

Lectures (+ exercises)


Register by email to

Information about the lecturers

Dr. M. F. Somers
Dr. F. Buda