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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


max. 15 participants
Language: English



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


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: We 17.10.2018 14:08