Theory of Spectroscopy and Molecular Properties (TSMP)

Vakbeschrijving Theory of Spectroscopy and Molecular Properties (TSMP)
Collegejaar: 2017-2018
Studiegidsnummer: 4423TSMP6 (TSMP)
Docent(en):
  • Dr. F. Buda
  • Dr. M.F. Somers
Voertaal: Engels
Blackboard: Nee
EC: 6
Niveau: 500
Periode:
  • Geen Keuzevak
  • Wel Contractonderwijs
  • Wel Exchange
  • Wel Study Abroad
  • Geen Avondonderwijs
  • Geen A-la-Carte en Aanschuifonderwijs
  • Geen Honours Class

Theory of Spectroscopy and Molecular Properties
Up to date schedule information

Elective course in the MSc Chemistry

Admission requirements

BSc in MST with a major in Chemistry. This is a very theoretical and advanced MSc course and prior knowledge of quantum mechanics and density functional theory and a strong background in physics and mathematics is needed

Description

The course describes how to compute some spectroscopic and molecular properties by quantum-mechanical 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, Introduction to time-dependent density functional theory.
At the end of the course students:
- will have a fundamental and theoretical understanding of how molecules interact with electro-magnetic fields,
- how an absorption spectrum might be calculated using time-dependent density functional theory and what approximations are often used,
- a basic fundamental understanding of the electro-magnetic fields, molecular properties and equations of motions,
- are able to give a presentation and an in-depth discussion about these concepts and
recent research literature using these computational tools,
- are able to study an advanced theoretical subject dealing with advanced vector calculus and multi-variable (functional) derivatives.

Mode of instruction

Lectures and exercises

Language

English

Timetable

Schedule information can be found on the website of the programmes.

Literature

The course is based on a reader that will be made available through blackboard.

Examination

Oral examination (70%) and presentation (30%) about a recent research article.

Contact information

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

Registration

Register for this course via uSis
For more information on how to sign up for classes

Additional info

This course will be given in 2018-2019

Talen