Theory of Spectroscopy and Molecular Properties (TSMP)
Collegejaar:  20182019 

Studiegidsnummer:  4423TSMP6 (TSMP) 
Docent(en): 

Voertaal:  Engels 
Blackboard:  Nee 
EC:  6 
Niveau:  500 
Periode:  Semester 1, Blok I 
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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 quantummechanical calculations.
The main topics are:
Timeindependent perturbation theory, Static molecular properties as energy derivatives, Timedependent perturbation theory and dynamic properties, Fermi's Golden Rule, Maxwell's Equations, Radiationmatter interactions, Minimal coupling Hamiltonian, Electricdipole approximation and optical transitions, Introduction to timedependent density functional theory.
At the end of the course students:
 will have a fundamental and theoretical understanding of how molecules interact with electromagnetic fields,
 how an absorption spectrum might be calculated using timedependent density functional theory and what approximations are often used,
 a basic fundamental understanding of the electromagnetic fields, molecular properties and equations of motions,
 are able to give a presentation and an indepth 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 multivariable (functional) derivatives.
Mode of instruction
Lectures and exercises
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
Registration
Register for this course via uSis
Additional info
This course will be given in 20182019.
Maakt deel uit van  Soort opleiding  Semester  Blok 

Chemistry  Master  1  I 
Life Science and Technology  Master  1  I 