Thursday, 13.11
Definitions and Derivation of quantum chemical potential energy surfaces (chairman Frédéric Patras)
15h30-16h00 Welcome Coffee
16h00-16h30 Patrick Cassam-Chenaï, Definitions of non adiabatic potential energy surfaces (abstract, presentation)
16h30-17h30 Roberto Marquardt, Global analytical potential energy surfaces: Searching for symmetry adapted functional forms (abstract, presentation )
17h30-18h30 Donald Thompson, Automatic Construction of Ab Initio Potential Energy Surfaces (abstract, presentation )
19h30 Dinner
Friday, 14.11
Recent mathematical developments (chairman Laurent Michel)
09h15-10h15 George Hagedorn, The Time-Dependent Born-Oppenheimer Approximation, Crossings, Avoided Crossings, and Some Non-Adiabatic Transitions (abstract, presentation)
10h15-11h15 Alain Joye, A Mathematical Theory for Vibrational Levels Associated with Hydrogen Bonds (abstract, presentation )
11h15-11h30 Coffee break
11h30-12h30 Clotilde Fermanian, Single switch surface hopping for molecular dynamics, (abstract, presentation )
12h45 Lunch
Recent developments in quantum chemistry (chairman Patrick Cassam-Chenaï)
14h00-15h00 Giovanni Granucci, Internal consistency and quantum decoherence in surface hopping, (abstract, presentation)
15h00-16h00 Alexandre Faure, Potential energy surfaces for inelastic collisions, (abstract, presentation )
16h00-16h30 Coffee Break
16h30-17h30 Paul Mezey, Quasi-Symmetry of Potential Energy Surfaces as Symmetry-Breaking of Energy Component Surfaces (abstract, presentation )
19h00 Dinner
Recent mathematical developments (chairman Laurent Michel)
09h15-10h15 George Hagedorn, The Time-Dependent Born-Oppenheimer Approximation, Crossings, Avoided Crossings, and Some Non-Adiabatic Transitions (abstract, presentation)
10h15-11h15 Alain Joye, A Mathematical Theory for Vibrational Levels Associated with Hydrogen Bonds (abstract, presentation )
11h15-11h30 Coffee break
11h30-12h30 Clotilde Fermanian, Single switch surface hopping for molecular dynamics, (abstract, presentation )
12h45 Lunch
Recent developments in quantum chemistry (chairman Patrick Cassam-Chenaï)
14h00-15h00 Giovanni Granucci, Internal consistency and quantum decoherence in surface hopping, (abstract, presentation)
15h00-16h00 Alexandre Faure, Potential energy surfaces for inelastic collisions, (abstract, presentation )
16h00-16h30 Coffee Break
16h30-17h30 Paul Mezey, Quasi-Symmetry of Potential Energy Surfaces as Symmetry-Breaking of Energy Component Surfaces (abstract, presentation )
19h00 Dinner