Course: Quantum chemistry
Aims: Fundamental
aspects
of quantum chemistry and applications.
Objectives: Understanding of the
general principles of quantum mechanics.
Applications in chemistry.
Description: General notions of
quantum mechanics. Schrodinger equation.
Axiomatic structure of quantum mechanics and quantum chemistry.
Electronic spin
- theory of Dirac. Approximative methods. HHartree-Fock method.
Roothan’s
method.
Assessment: written and oral
examination