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529-0431-00L 4 Credits BSC , MSC D-CHAB , D-MAVT , D-MATH , D-ITET
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Physical Chemistry III: Molecular Quantum Mechanics

Physikalische Chemie III: Molekulare Quantenmechanik

VVZ CR 3.2

Last Updated: 2026-02-05 16:07:47

Abstract

Postulates of quantum mechanics, operator algebra, Schrödinger's equation, state functions and expectation values, matrix representation of operators, particle in a box, tunneling, harmonic oscillator, molecular vibrations, angular momentum and spin, generalised Pauli principle, perturbation theory, electronic structure of atoms and molecules, Born-Oppenheimer approximation.

Objective

This is an introductory course in quantum mechanics. The course starts with an overview of the fundamental concepts of quantum mechanics and introduces the mathematical formalism. The postulates and theorems of quantum mechanics are discussed in the context of experimental and numerical determination of physical quantities. The course develops the tools necessary for the understanding and calculation of elementary quantum phenomena in atoms and molecules.

Content

Postulates and theorems of quantum mechanics: operator algebra, Schrödinger's equation, state functions and expectation values. Linear motions: free particles, particle in a box, quantum mechanical tunneling, the harmonic oscillator and molecular vibrations. Angular momentum: electronic spin and orbital motion, molecular rotations. Electronic structure of atoms and molecules: the Pauli principle, angular momentum coupling, the Born-Oppenheimer approximation. Variational principle and perturbation theory. Discussion of bigger systems (solids, nano-structures).

Resources

Lecture Notes

A script written in German will be available. The script is, however, no replacement for personal notes during the lecture and does not cover all aspects discussed.

Learning Materials (Links)

General Information

Language
German
Levels
BSC , MSC
Frequency
Yearly recurring

Examination

Type
session examination
Mode
written 180 minutes
Aids
Alle schriftlichen Unterlagen. Einfacher Taschenrechner ist mitzubringen. Alle elektronischen Geräte, die Verbindung mit Dritten ermöglichen, sind verboten.
Aufgabenstellung auf Deutsch. Antworten werden auf Englisch und Deutsch akzeptiert.

Course Components

Type Title Time & Place Hours
lecture with exercise Physikalische Chemie III: Molekulare Quantenmechanik
Groups are selected in myStudies. Die Vorlesungen finden Mo 8-9 und Di 8-10 statt. Uebungen Di 10-11 für die Studierenden der Rechnergestützten Wissenschaften.
  • Mon 07:45-08:30 (HCI G 3)
  • Tue 08:00-09:35 (HIL E 1)
  • Tue 09:45-10:30 (HCI D 4)
  • Tue 09:45-10:30 (HCI D 6)
  • Tue 09:45-10:30 (HCI E 2)
  • Tue 09:45-10:30 (HCI F 2)
  • Tue 09:45-10:30 (HCI J 8)
  • Tue 09:45-10:30 (HIT K 51)
  • Tue 10:45-11:30 (HCI D 6)
  • Tue 10:45-11:30 (HCI E 2)
  • Tue 10:45-11:30 (HIT F 31.1)
  • Wed 09:45-10:30 (HCI D 6)
  • Wed 11:45-12:30 (HCI D 4)
  • Wed 11:45-12:30 (HCI D 6)
  • Wed 11:45-12:30 (HCI E 8)
  • Wed 11:45-12:30 (HCI F 2)
4 h weekly

Offered In