Universität Wien

270117 VO Modern Quantum Chemistry (2023S)

4.00 ECTS (2.00 SWS), SPL 27 - Chemie
Moodle

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Details

Language: English

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

  • Friday 03.03. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 10.03. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 17.03. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 24.03. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 31.03. 10:00 - 12:00 Seminarraum 2 Währinger Straße 38 Dekanat 1. Stock
  • Friday 21.04. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 28.04. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 05.05. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 12.05. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 19.05. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 26.05. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 02.06. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 09.06. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 16.06. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 23.06. 10:00 - 12:00 Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
  • Friday 30.06. 10:00 - 12:00 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. 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

Oral examination in the form of a short presentation about an assigned topic and additional questions about the lecture contents

Minimum requirements and assessment criteria

Grading of the presentation (50%):
- presentation quality (slides, citations, structure, figures)
- content quality (connecting to lecture content, facts/advantages/limitations of the topic)

Grading of the questions (50%):
- understanding of the presentation topic
- knowledge and understanding of the lecture content

Evaluation standards:
sehr gut - excellent performance, shows very good knowledge and understanding of the lecture content and given topic
gut - good knowledge and understanding of the lecture content, with a little shakiness, basic understanding of the given topic
befriedigend - middle-rate performance
genügend - clear deficits, but able to reproduce main contents of the lecture with support
nicht genügend: inacceptable lack of knowledge on the lecture content and

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, CH-TPA-03

Last modified: Th 03.08.2023 11:47