Universität Wien
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270117 VO Modern Quantum Chemistry (2021S)

3.00 ECTS (2.00 SWS), SPL 27 - Chemie


Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).


Language: English

Examination dates



Wednesday 8:30 - 10:00
Starting March 3rd 2021
All classes will be held online.


Aims, contents and method of the course

Basic understanding of concepts and methods in quantum chemistry.

1. Mathematical Foundations of Quantum Chemistry
2. Variational Methods
3. Born-Oppenheimer Approximation
4. Hartree-Fock Theory and Basis Sets
5. Correlation Methods
6. Density functional theory
7. Additional concepts (e.g., relativistic quantum chemistry, solvation effects)

Assessment and permitted materials

Note that this is on-site written exam in contrast to the first exam (July 5th, July 6th).

Minimum requirements and assessment criteria

Achieving at least 50 von 100 possible points.
Examination criteria:
1 (excellent) 100-91
2 (good) 90-81
3 (satisfactory) 80-68
4 (sufficient) 67-50
5 (failed) 49-0

Examination topics

All contents covered in the lecture.

Reading list

Szabo-Ostlund "Modern Quantum Chemistry"
Jensen "Introduction to Computational Chemistry"
Levine "Quantum Chemistry"
McQuarrie "Quantum Chemistry"
Koch & Holthausen "a chemist's guide to density functional theory"

Association in the course directory

TC-2, Doktorat, SHELL-Ergänzungsfach-Chemie, SHELL-Schwerpunkt-Chemie

Last modified: Mo 27.09.2021 11:09