529-0431-00L  Physical Chemistry III: Molecular Quantum Mechanics

SemesterSpring Semester 2018
LecturersB. H. Meier, M. Ernst
Periodicityyearly recurring course
Language of instructionGerman



Courses

NumberTitleHoursLecturers
529-0431-00 GPhysikalische Chemie III: Molekulare Quantenmechanik Special students and auditors need a special permission from the lecturers.
Die Vorlesungen finden Mo 8-9 und Di 11-13 statt.
Uebungen Di 13-14 für die Studierenden der Rechnergestützten Wissenschaften.
4 hrs
Mon08-09HCI G 3 »
Tue08-09HCI D 6 »
08-09HCI J 8 »
09-10HCI D 6 »
09-10HCI E 8 »
09-10HCI F 2 »
09-10HCI H 8.1 »
09-10HCI J 8 »
11-13HCI G 7 »
13-14HCI E 8 »
13-14HCI H 2.1 »
13-14HCI J 8 »
Wed12-13HCI D 4 »
12-13HCI D 6 »
12-13HCI F 2 »
12-13HCI H 2.1 »
B. H. Meier, M. Ernst

Catalogue data

AbstractPostulates 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.
ObjectiveThis 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.
ContentPostulates 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 notesA 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: Introduction to 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 Chemistry 2005; Version 27.03.2018 (Examination Block I)
Bachelor's Degree Programme in Interdisciplinary Sciences 2010; Version 27.03.2018 (Examination Block)
ECTS credits8 credits
ExaminersF. Merkt, M. Ernst, B. H. Meier
Typesession examination
Language of examinationGerman
RepetitionThe performance assessment is offered every session. Repetition possible without re-enrolling for the course unit.
Mode of examinationwritten 180 minutes
Additional information on mode of examinationAlle schriftlichen Unterlagen gilt nur für PC II
Vier Seiten A4 Zusammenfassung gilt nur für PC III
Written aidsAlle 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 forBachelor's Degree Programme in Computational Science and Engineering 2016; Version 27.03.2018 (Examination Block G3)
Bachelor's Programme in Computational Science and Engineering 2012; Version 13.12.2016 (Examination Block G3)
ECTS credits4 credits
ExaminersB. H. Meier, M. Ernst
Typesession examination
Language of examinationGerman
RepetitionThe performance assessment is offered every session. Repetition possible without re-enrolling for the course unit.
Mode of examinationwritten 90 minutes
Additional information on mode of examinationAufgabenstellung in Deutsch. Antworten werden in Englisch und Deutsch akzeptiert.
Written aidsVier 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

Offered in

ProgrammeSectionType
Chemistry BachelorCompulsory Subjects Examination Block IOInformation
Chemical Engineering BachelorCompulsory Subjects Examination Block IOInformation
Interdisciplinary Sciences BachelorCompulsory SubjectsOInformation
Interdisciplinary Sciences BachelorCompulsory Subjects Examination BlockOInformation
Micro- and Nanosystems MasterEnergy Conversion and Quantum PhenomenaWInformation
Computational Science and Engineering BachelorBlock G3OInformation