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270117 VO Modern Quantum Chemistry (2018S)

3.00 ECTS (2.00 SWS), SPL 27 - Chemie


max. 100 participants
Language: English

Examination dates



Proposed time frame:
Lecture on Tuesdays, 10:30 - 12:00. Währinger Straße 17, seminar room EG.
Starting date: 6th of March
Computer exercises starting date: 6th of March, 10:30-12:00, Währiger Str. 17, seminar room EG


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

Last modified: Mo 07.09.2020 15:41