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270117 VO Modern Quantum Chemistry (2021S)
Labels
Registration/Deregistration
Details
Language: English
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
Oral presentation at the end of the course.
Proposed date for the presentations: June 30th, from 8:30 to 12:30
Proposed date for the presentations: June 30th, from 8:30 to 12:30
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: We 03.03.2021 00:05
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)