Universität Wien

270117 VO Modern Quantum Chemistry (2025S)

4.00 ECTS (2.00 SWS), SPL 27 - Chemie
Moodle
Th 05.06. 09:45-11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1

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).
Register/Deregister for this course

Details

Language: English

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

  • Thursday 06.03. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 13.03. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 20.03. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 27.03. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 03.04. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 10.04. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 08.05. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 15.05. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 22.05. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 12.06. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Thursday 26.06. 09:45 - 11:45 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1

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. Born-Oppenheimer Approximation
3. Variational Methods
4. Hartree-Fock Theory and Basis Sets
5. Correlation Methods
6. Density functional theory

Assessment and permitted materials

Registration will be open in advance, ca 2 weeks before.

Written exam: 3rd July 2025, 10:00. Location TBA.
Written exam: 10th July, 10:00. Location TBA
Written exam: 15th September, 10:00. Location TBA

Over the course of the semester, there will be several voluntary math exercises, which can be used to collect bonus points for the final grade.

Minimum requirements and assessment criteria

The exam has a total of 100 points. The 4 optional math exercises are each awarded up to 5 bonus points (a total of 20 bonus points).

The grading scale is as follows:
100–90 points: Excellent
89–80 points: Good
79–70 points: Satisfactory
69–60 points: Sufficient
59–0 points: Fail

Examination topics

All contents of 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

SHELL-Ergänzungsfach-Chemie, SHELL-Schwerpunkt-Chemie, CH-TPA-03

Last modified: We 28.05.2025 11:08
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