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270072 UE Modern Quantum Chemistry - Computer Exercises (2017S)

3.00 ECTS (3.00 SWS), SPL 27 - Chemie
Continuous assessment of course work

Registration/Deregistration

Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first serve).

Details

max. 15 participants
Language: English

Lecturers

Classes

Preliminary meeting March 7th, 9 a.m., seminar room, ground floor, Währinger Str. 17
Proposed time frame:
Computer exercises on Tuesdays, 10:45 am - 1 pm. Währinger Strasse 17, 2nd floor, PC Pool


Information

Aims, contents and method of the course

Computer exercises for the lecture "Moderne Quantenchemie/Modern Quantum Chemistry"; 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.

Assessment and permitted materials

Abgabe der Protokolle

Minimum requirements and assessment criteria

Illustrating the fundaments behind ab initio and DFT methods

Examination topics

Reading list


Association in the course directory

TC-2, EF-1, EF-2, EF-3, SHELL-Ergänzungsfach-Chemie, SHELL-Schwerpunkt-Chemie.

Last modified: Mo 07.09.2020 15:41