Description

In this lecture the basics of electronic structure calculations is provided:

• Basics of quantum mechanics
• Quantum mechanical description of atoms
• Survey of methods in quantum chemistry
• Semi empirical approaches: benefits and limitations
• Introduction to Hartree-Fock

Compétences visées

• Competing one-electron and two-electron effects ruling electronic structures
• Ability to describe electronic structure calculations starting from the exact Hamiltonian.
• Extraction of information by reading a wave function
• Limits of methods

Contacts

Responsable(s) de l'enseignement

• Vincent Robert