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

• to define the basic concepts of quantum mechanics 
• to explain and motivate the independent-electron approaches (Hartree-Fock, self-consistent field, density functional theory) used in quantum chemistry. 
• to discuss independent-electron approaches and basis sets as the basis of an understanding of chemical bonding
• to compare advantages of the introduced approximations
• to develop software-based solutions for simple problems in theoretical chemistry

• Basic principles of quantum mechanics: Wave-functions, expectation values, hydrogen atom, variational method
• Molecular orbital theory and chemical bonding
• Independent particle approximations to many-electron systems: Hartree-Fock, self-consistent-field and density functional theory 
• Basis sets (LCAO)
• Numerical solution of problems using python

Video Lectures. Inverted Classroom. Lecture Notes. Computer exercises.

IMPORTANT: Since there is an overlap of the initial Zoom meeting with the "Introduction to CSE" seminar, it will be recorded for students who cannot attend. You can find the video on TUWEL after the meeting. Please make sure to watch it before the lectures start.

Oral exam. A questionaire related to the practical exercises

Lecture notes and videos available on TUWEL