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270117 VO Modern Quantum Chemistry (2017S)

3.00 ECTS (2.00 SWS), SPL 27 - Chemie

Registration/Deregistration

Details

Language: Englisch

Examination dates

Lecturers

Classes

Lecture on Tuesdays, 9 am - 10:30 am. Währinger Strasse 17, Seminar room EG. Starting date: 7th of March
Computer exercises on Tuesdays, 10:45 am - 1 pm. Währinger Strasse 17, 2nd floor, PC Pool


Information

Aims, contents and method of the course

1. Mathematical Foundations of Quantum Chemistry; 2. Variational Methods ; 3. Born-Oppenheimer Approximation; 4. Hartree-Fock Theory and Basis Sets; 5. Basic Correlation Methods; 6. Density functional theory.

Assessment and permitted materials

Written exam at the end of the course

Minimum requirements and assessment criteria

Learning 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: Tu 25.07.2017 13:50