270117 VO Modern Quantum Chemistry (2021S)
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
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
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 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"
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
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)