165.009 Theoretical Chemistry
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2022W, VO, 2.0h, 3.0EC
TUWEL

Properties

  • Semester hours: 2.0
  • Credits: 3.0
  • Type: VO Lecture
  • Format: Distance Learning

Learning outcomes

After successful completion of the course, students are able to...

to define the basic concepts of quantum mechanics (particle-wave dualisme, Schrödinger equation) and the approximations (Hartree-Fock, self-consisten field, density functional theory configuration interaction) used in quantum chemistry. To contrast independent-electron approaches and basis sets and to discuss them as the basis of an understanding of chemical bonding. To analyze and contrast advantages and disadvantages of various approximations. 

Subject of course

Principles of quantum mechanics (Intensify), Variational method

Many-electron systems: Independent particle approximations (Hartree-Fock, self-consistent-field, density functional theory) as well as configuration interaction

Basis sets (LCAO) and molecular orbital theory (chemical bonding)

 

 

Teaching methods

Viedo Lectures. Inverted Classroom. Lecture Notes.

Mode of examination

Oral

Additional information

! For data protection purposes we can only respond to enquiries sent from an official TU (student) e-mail address !

Lecturers

Institute

Course dates

DayTimeDateLocationDescription
Mon10:00 - 11:0003.10.2022 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Briefing
Mon10:00 - 12:0010.10.2022 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Theoretische Chemie
Mon10:00 - 12:0017.10.2022 - 23.01.2023Seminarraum Lehar 01 Theoretische Chemie
Tue14:00 - 16:0015.11.2022 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Theoretische Chemie
Theoretical Chemistry - Single appointments
DayDateTimeLocationDescription
Mon03.10.202210:00 - 11:00 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Briefing
Mon10.10.202210:00 - 12:00 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Theoretische Chemie
Mon17.10.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon24.10.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon14.11.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Tue15.11.202214:00 - 16:00 ZOOM: https://tuwien.zoom.us/my/georgmadsen?pwd=QkZnUG5Jb1Q1cytoZzdIRiszaUlGZz09Theoretische Chemie
Mon21.11.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon05.12.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon12.12.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon19.12.202210:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon09.01.202310:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon16.01.202310:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie
Mon23.01.202310:00 - 12:00Seminarraum Lehar 01 Theoretische Chemie

Examination modalities

An oral examination in groups of two on the content of the lecture. The exam takes about 40 minutes and the grade is based on how comprehensively the student can explain the course content and thus answer the questions asked.

Dates for the exam will be announced on TUWEL

Course registration

Begin End Deregistration end
29.09.2022 09:00 05.01.2023 09:00

Curricula

Literature

Lecture notes are available as pdf.

Language

German