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529-0474-00L 6 Credits
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Quantum Chemistry

Quantenchemie

Lecturers & Examiners: Dr. Hans Peter Lüthi, Prof. Dr. Jürg Hutter
VVZ CR n/a

Last Updated: 2026-02-05 15:02:33

Abstract

Basic concepts and methods of quantum chemistry: ab initio, density functional theory, semi-empirical methods. 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 und Uebungsskript "Molecular dynamics of simple systems".

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
  • Mon 09:45-10:30 (HCI H 8.1)
  • Tue 08:45-10:30 (HCI H 2.1)
3 h weekly

Offered In