Title: Mathematical contributions to electronic structure calculations: one overview and two examples
 
Speaker: Claude Le Bris, CERMICS, Ecole Nationale des Ponts et Chaussees
                              
Date/Time: Wednesday, October 12, 2005, 1:30-2:30pm (MT)

Location: Building 980, Room 95 (Sandia NM), Building 915/S101 (Sandia-CA)

Brief Abstract: We will overview three decades of mathematical contributions to computational chemistry. The emphasis is laid on electronic structure calculations. Theoretical contributions will be mentioned, but the talk will be biased toward   numerical issues. Two examples of recent contributions will be detailed: convergence of SCF algorithms, and domain decomposition methods.