Universität Wien

270117 VO Modern Quantum Chemistry (2022S)

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

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Details

Language: English

Examination dates

Lecturers

Classes

First unit: Wednesday 2.3.2022, 13:15-14:45
on-site course: Währinger Straße 17, PC Pool second floor

Further units: Wednesdays, 13:15-14:45 (to be discussed in the first unit)

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

Written exam at the end of the course.

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: Th 25.08.2022 09:48