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.

2021W, VO, 2.0h, 3.0EC


  • 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. Furthermore, students should be able to describe the low energy dynamics of a molecule using the normal modes and to qualitatively analyze the infrared activity of the normal modes.

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)

Molecular vibrations 


Teaching methods


Mode of examination


Additional information

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



Course dates

Mon10:00 - 12:0004.10.2021 - 17.01.2022 Theoretische Chemie
Theoretical Chemistry - Single appointments
Mon04.10.202110:00 - 12:00 Theoretische Chemie
Mon11.10.202110:00 - 12:00 Theoretische Chemie
Mon18.10.202110:00 - 12:00 Theoretische Chemie
Mon25.10.202110:00 - 12:00 Theoretische Chemie
Mon08.11.202110:00 - 12:00 Theoretische Chemie
Mon22.11.202110:00 - 12:00 Theoretische Chemie
Mon29.11.202110:00 - 12:00 Theoretische Chemie
Mon06.12.202110:00 - 12:00 Theoretische Chemie
Mon13.12.202110:00 - 12:00 Theoretische Chemie
Mon10.01.202210:00 - 12:00 Theoretische Chemie
Mon17.01.202210:00 - 12:00 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 TISS.

Course registration

Begin End Deregistration end
30.09.2021 09:00 06.01.2022 09:00



Lecture notes are available as pdf.