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270117 VO Modern Quantum Chemistry (2020S)

3.00 ECTS (2.00 SWS), SPL 27 - Chemie

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

Every Thursday 08:30 to 10:00 a.m.
Starting date 05.03.2020
Seminar room 2, Währinger Str. 42, 1st floor

1st exam on June, 25th, 08:30 a.m.

2nd exam on August, 12th, 08:30 a.m., seminar room, Währinger Str. 17, 4th floor

Further exams by individual appointment (email to leticia.gonzalez@univie.ac.at).


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 in the written exam.

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 content 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: We 19.08.2020 07:49