270117 VO Modern Quantum Chemistry (2024S)
Labels
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
Lecturers
Classes (iCal) - next class is marked with N
Every Friday from 10:00 to 11:30 in Seminar room 3.
01.03.2408.03.24
15.03.24
22.03.24
29.03.24 Easter holidays
05.04.24 Easter holidays
12.04.24
19.04.24
26.04.24
03.05.24
10.05.24
17.05.24
24.05.24
31.05.24
07.06.24
14.06.24
21.06.24
28.06.24
Friday
01.03.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
08.03.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
15.03.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
22.03.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
12.04.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
19.04.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
26.04.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
N
Friday
03.05.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
10.05.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
17.05.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
24.05.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
31.05.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
07.06.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
14.06.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
21.06.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Friday
28.06.
10:00 - 12:00
Seminarraum 3 Organische Chemie 1OG Boltzmanngasse 1
Information
Aims, contents and method of the course
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 contentEvaluation 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 andOver the course of the semester, there will be several voluntary math exercises, which can be used to collect bonus points for the final grade.
- 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 contentEvaluation 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 andOver the course of the semester, there will be several voluntary math exercises, which can be used to collect bonus points for the final grade.
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"
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: Fr 23.02.2024 13:46
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 and Methods for Excited States
6. Density functional theory
7. Additional concepts (e.g., relativistic quantum chemistry, solvation effects)