Universität Wien FIND

Return to Vienna for the summer semester of 2022. We are planning to hold courses mainly on site to enable the personal exchange between you, your teachers and fellow students. We have labelled digital and mixed courses in u:find accordingly.

Due to COVID-19, there might be changes at short notice (e.g. individual classes in a digital format). Obtain information about the current status on u:find and check your e-mails regularly.

Please read the information on https://studieren.univie.ac.at/en/info.

270117 VO Modern Quantum Chemistry (2021S)

3.00 ECTS (2.00 SWS), SPL 27 - Chemie

Registration/Deregistration

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

Details

Language: English

Examination dates

Lecturers

Classes

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


Information

Aims, contents and method of the course

Goal:
Basic understanding of concepts and methods in quantum chemistry.

Contents:
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