Chemical Bonding
Written exam
This module is an introduction to the main basic concepts encountered in quantum chemistry for the determination of the electronic structure of systems ranging from hydrogen atoms to single multi-electronic molecules.
The main concepts covered are: molecular orbital theory, resolution of the Schrödinger equation, electronic correlation, perturbation or variational approaches, approximate methods for calculating the electronic structure, study of reactivity using boundary orbital theory and characterization of an energy profile.
The training is based on alternating course and TD sessions.
The student must be able to:
– understand the basic concepts of quantum chemistry
– to be able to describe a multi-electronic atomic or molecular system
– select and use the approximate methods for calculating the electronic structure
– understand the basic concepts of molecular system reactivity
Teaching language: FR
Documents:
handouts