Mathematical Models and Numerical Analysis in Computational Quantum Chemistry

Catalog description

We shall present on some models in the quantum chemistry field (Thomas Fermi and related, Hartree Fock, Kohn Sham) the basic tools of functional analysis for the study of their solutions. Then some of the discretization methods and iterative algorithms to solve these problems will be presented and analyzed. Some of the open problems that flourish in this field will also be presented all along the lectures.