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.
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)
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
