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

SemesterSpring Semester 2021
LecturersF. Merkt
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 8-10 statt.
Uebungen Di 10-11 für die Studierenden der Rechnergestützten Wissenschaften.
4 hrs
Mon08-09HCI G 3 »
Tue08-10HIL E 1 »
10-11HCI D 4 »
10-11HCI D 6 »
10-11HCI E 2 »
10-11HCI F 2 »
10-11HCI J 8 »
10-11HIT K 51 »
11-12HCI D 6 »
11-12HCI E 2 »
11-12HIT F 31.1 »
Wed10-11HCI D 6 »
12-13HCI D 4 »
12-13HCI D 6 »
12-13HCI E 8 »
12-13HCI F 2 »
F. Merkt

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 available. 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 Programme in Chemical Engineering 2006; Version 27.03.2018 (Examination Block I)
Bachelor's Programme in Chemical Engineering 2018; Version 29.11.2018 (Examination Block I)
Bachelor's Programme in Chemistry 2005; Version 27.03.2018 (Examination Block I)
Bachelor's Programme in Chemistry 2018; Version 29.11.2018 (Examination Block I)
Bachelor's Programme in Interdisciplinary Sciences 2010; Version 27.03.2018 (Examination Block)
Bachelor's Programme in Interdisciplinary Sciences 2018; Version 01.02.2022 (Examination Block)
ECTS credits8 credits
ExaminersF. Merkt
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 examinationAufgabenstellung auf Deutsch. Antworten werden auf Englisch und Deutsch akzeptiert.
Written aidsAlle schriftlichen Unterlagen. Einfacher 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 Programme in Computational Science and Engineering 2012; Version 13.12.2016 (Examination Block G3)
Bachelor's Programme in Computational Science and Engineering 2016; Version 27.03.2018 (Examination Block G3)
Bachelor's Programme in Computational Science and Engineering 2018; Version 07.04.2022 (Examination Block G4)
ECTS credits4 credits
ExaminersF. Merkt
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 aidsAlle schriftlichen Unterlagen. Einfacher 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

 
Main linkInformation
Only public learning materials are listed.

Groups

529-0431-00 GPhysikalische Chemie III: Molekulare Quantenmechanik
Registration for groups in myStudies is possible until 28.02.2021.
Mon08-09HCI G 3 »
Tue08-10HIL E 1 »
GroupsG-01
Tue10-11HCI F 2 »
not for  Computational Science and Engineering BSc (406000)
G-02
Tue10-11HCI J 8 »
not for  Computational Science and Engineering BSc (406000)
G-03
Tue11-12HCI D 6 »
not for  Computational Science and Engineering BSc (406000)
G-04
Tue11-12HCI E 2 »
not for  Computational Science and Engineering BSc (406000)
G-05
Tue11-12HIT F 31.1 »
not for  Computational Science and Engineering BSc (406000)
G-06
Wed10-11HCI D 6 »
not for  Computational Science and Engineering BSc (406000)
G-07
Wed12-13HCI D 4 »
not for  Computational Science and Engineering BSc (406000)
G-08
Wed12-13HCI D 6 »
not for  Computational Science and Engineering BSc (406000)
G-09
Wed12-13HCI E 8 »
not for  Computational Science and Engineering BSc (406000)
G-10
Wed12-13HCI F 2 »
not for  Computational Science and Engineering BSc (406000)
RW 1
Tue10-11HCI D 4 »
only for  Computational Science and Engineering BSc (406000)

not for  Micro- and Nanosystems MSc (161000)
Chemistry BSc (529000)
Chemical Engineering BSc (530000)
Interdisciplinary Sciences (Phys. Chem.) BSc (531000)
Interdisciplinary Sciences (Biochem. Phys.) BSc (531100)
RW 2
Tue10-11HCI D 6 »
only for  Computational Science and Engineering BSc (406000)

not for  Micro- and Nanosystems MSc (161000)
Chemistry BSc (529000)
Chemical Engineering BSc (530000)
Interdisciplinary Sciences (Phys. Chem.) BSc (531000)
Interdisciplinary Sciences (Biochem. Phys.) BSc (531100)
RW 3
Tue10-11HCI E 2 »
only for  Computational Science and Engineering BSc (406000)

not for  Micro- and Nanosystems MSc (161000)
Chemistry BSc (529000)
Chemical Engineering BSc (530000)
Interdisciplinary Sciences (Phys. Chem.) BSc (531000)
Interdisciplinary Sciences (Biochem. Phys.) BSc (531100)
RW 4
Tue10-11HIT K 51 »
only for  Computational Science and Engineering BSc (406000)

not for  Micro- and Nanosystems MSc (161000)
Chemistry BSc (529000)
Chemical Engineering BSc (530000)
Interdisciplinary Sciences (Phys. Chem.) BSc (531000)
Interdisciplinary Sciences (Biochem. Phys.) BSc (531100)

Restrictions

General : Special students and auditors need a special permission from the lecturers
GroupsRestrictions are listed under Groups

Offered in

ProgrammeSectionType
Chemistry BachelorCompulsory Subjects Examination Block IOInformation
Chemical Engineering BachelorExamination Block IOInformation
Interdisciplinary Sciences BachelorExamination BlockOInformation
Interdisciplinary Sciences BachelorCompulsory SubjectsOInformation
Micro- and Nanosystems MasterEnergy Conversion and Quantum PhenomenaWInformation
Computational Science and Engineering BachelorBlock G3OInformation
Computational Science and Engineering BachelorBlock G4OInformation