Single switch surface hopping for molecular dynamics

Single switch surface hopping for molecular dynamics Clotilde Fermanian Kammerer Universite Paris Est, UMR 8050 du CNRS Nice, 13-14 November 2008 Mathematical methods for “Ab initio” Quantum Chemistry 1

• quadratic functions


• wave function


• cross when


• mathematical methods


• hagedorn's potentials


• th direction


• surface hopping


• universite de paris


• single switch