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Quantum Chemistry
Quantenchemie
Last Updated: 2026-02-05 15:09:56
Abstract
Basic concepts and methods of quantum chemistry; Introduction to advanced electronic structure theory. Small case studies using quantum chemical software ("hands-on").
Objective
Einführung in Rechenmethoden zur Behandlung molekularer Systeme: Programmieren und Anwendung von Methoden für einfache Systeme.
Content
Basic concepts of quantum mechanics, quantum chemical methods: ab initio, density functional theory, semi-empirical methods, manipulation of quantum chemical software, Hartree-Fock self consistent field (SCF) methods, electron correlation, density functional methods, case studies using quantum mechanical software.
Resources
Lecture Notes
Folienkopien
Literature
F. Jensen, Introduction to Computational Chemistry, John Wiley & Sons A. Szabo and N. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, McGraw-Hill
General Information
- Language
- German
- Frequency
- Yearly recurring
Examination
- Type
- session examination
- Mode
- oral 30 minutes
Course Components
| Type | Title | Time & Place | Hours |
|---|---|---|---|
| lecture with exercise | Quantum Chemistry |
|
3 h weekly |
Offered In
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6. Semester (Nach Rücksprache mit dem Fachberater sind geeignete Fächerpakete wählbar.Unterrichtsveranstaltungen nach Absprache mit dem FachberaterBiochemie, Bildwissenschaften, Materialwissenschaften und Umweltnaturwissenschaften nach Rücksprache mit den Dozierenden und dem Fachberater)
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