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.

2020W, 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. 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

Lectures

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 - 12:0005.10.2020 - 18.01.2021 (LIVE)Theoretische Chemie
Theoretical Chemistry - Single appointments
DayDateTimeLocationDescription
Mon05.10.202010:00 - 12:00 Theoretische Chemie
Mon12.10.202010:00 - 12:00 Theoretische Chemie
Mon19.10.202010:00 - 12:00 Theoretische Chemie
Mon09.11.202010:00 - 12:00 Theoretische Chemie
Mon16.11.202010:00 - 12:00 Theoretische Chemie
Mon23.11.202010:00 - 12:00 Theoretische Chemie
Mon30.11.202010:00 - 12:00 Theoretische Chemie
Mon07.12.202010:00 - 12:00 Theoretische Chemie
Mon14.12.202010:00 - 12:00 Theoretische Chemie
Mon11.01.202110:00 - 12:00 Theoretische Chemie
Mon18.01.202110:00 - 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
01.10.2020 09:00 31.12.2020 09:00

Curricula

Literature

Lecture notes are available as pdf.

Language

German