Mathematical and Computational Methods in Quantum Chemistry

A mathematical formulation of the GW method

Eric Cances

Ecole des Ponts and INRIA


The GW method is the state-of-the-art approach for computing electronic excitation energies in extended molecules and solids. It is in particular the most accurate method for computing band gaps in semiconductors and insulators. In this talk, I will present the mathematical formulation of the GW method and discuss its performance with respect to its main competitor, namely time-dependent density functional theory. This is a joint work with David Gontier and Gabriel Stoltz.