After successful completion of the course, students are able to...
to define basic concepts of quantum mechanics and the approximations 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)
Molecular vibrations
