529-0431-00L Physical Chemistry III: Molecular Quantum Mechanics
| Semester | Spring Semester 2019 |
| Lecturers | B. H. Meier, M. Ernst |
| Periodicity | yearly recurring course |
| Language of instruction | German |
Courses
| Number | Title | Hours | Lecturers | |
|---|---|---|---|---|
| 529-0431-00 G | Physikalische Chemie III: Molekulare Quantenmechanik
 Die Vorlesungen finden Mo 8-9 und Di 11-13 statt. Uebungen Di 13-14 für die Studierenden der Rechnergestützten Wissenschaften. | 4 hrs | B. H. Meier, M. Ernst |
Catalogue data
| 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. |
| Learning 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). |
| Lecture notes | A script written in German will be distributed. The script is, however, no replacement for personal notes during the lecture and does not cover all aspects discussed. |
Performance assessment
| Performance assessment information (valid until the course unit is held again) | |
Performance assessment as a two-semester course together with 529-0422-00L Physical Chemistry II: Chemical Reaction Kinetics | |
| For programme regulations (Examination block) | Bachelor's Degree Programme in Chemical Engineering 2006; Version 27.03.2018 (Examination Block I) Bachelor's Degree Programme in Chemical Engineering 2018; Version 26.09.2022 (Examination Block I) Bachelor's Degree Programme in Chemistry 2005; Version 27.03.2018 (Examination Block I) Bachelor's Degree Programme in Chemistry 2018; Version 26.09.2022 (Examination Block I) Bachelor's Degree Programme in Interdisciplinary Sciences 2010; Version 27.03.2018 (Examination Block) Bachelor's Degree Programme in Interdisciplinary Sciences 2018; Version 12.07.2022 (Examination Block) |
| ECTS credits | 8 credits |
| Examiners | F. Merkt, M. Ernst, B. H. Meier |
| Type | session examination |
| Language of examination | German |
| Repetition | The performance assessment is offered every session. Repetition possible without re-enrolling for the course unit. |
| Mode of examination | written 180 minutes |
| Additional information on mode of examination | Alle schriftlichen Unterlagen gilt nur für PC II Vier Seiten A4 Zusammenfassung gilt nur für PC III |
| Written aids | Alle schriftl. Unterlagen nur für PCII/Vier Seiten A4 Zusammenf. für PC III. Normaler Taschenrechner ist mitzubringen. Alle elektronischen Geräte, die Verbindung mit Dritten ermöglichen, sind verboten. |
|
Performance assessment as a semester course
(other programmes)
| |
| In examination block for | Bachelor's Degree Programme in Computational Science and Engineering 2016; Version 27.03.2018 (Examination Block G3) Bachelor's Degree Programme in Computational Science and Engineering 2018; Version 07.11.2024 (Examination Block G4) Bachelor's Programme in Computational Science and Engineering 2012; Version 13.12.2016 (Examination Block G3) |
| ECTS credits | 4 credits |
| Examiners | B. H. Meier, M. Ernst |
| Type | session examination |
| Language of examination | German |
| Repetition | The performance assessment is offered every session. Repetition possible without re-enrolling for the course unit. |
| Mode of examination | written 90 minutes |
| Additional information on mode of examination | Aufgabenstellung in Deutsch. Antworten werden in Englisch und Deutsch akzeptiert. |
| Written aids | Vier Seiten A4 Zusammenfassung. Normaler Taschenrechner ist mitzubringen. Alle elektronischen Geräte, die Verbindung mit Dritten ermöglichen, sind verboten. |
| If the course unit is part of an examination block, the credits are allocated for the successful completion of the whole block. This information can be updated until the beginning of the semester; information on the examination timetable is binding. | |
Learning materials
| No public learning materials available. | |
| Only public learning materials are listed. |
Groups
| No information on groups available. |
Restrictions
| General |  : Special students and auditors need a special permission from the lecturers |
