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270072 UE Modern Quantum Chemistry - Computer Exercises (2018S)

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 served).

Details

max. 15 participants
Language: English

Lecturers

Classes

Time: Tuesdays, 15:00 - 17:15
Starting Date: Tuesday, 13th March (Organisational matters on the 6th March at 10:30 am)
Location: Währinger Str. 17, room 203 (PC pool), 2nd floor


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, SHELL-Ergänzungsfach-Chemie, SHELL-Schwerpunkt-Chemie, Doktorat

Last modified: Fr 31.08.2018 08:43