title: Quantum nuclear extension of electron nuclear dynamics on folded effective-potential surfaces.
abstract: A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet dynamics on that surface and calculate differential cross sections for two-center, one (active) electron systems.
authors.affiliation: Quantum Theory Project, Departments of Physics and Chemistry, University of Florida , Gainesville, Florida 32611, United States.
authors.forename: Benjamin
authors.initials: B
authors.lastname: Hall
authors.forename: Erik
authors.initials: E
authors.lastname: Deumens
authors.forename: Yngve
authors.initials: Y
authors.lastname: Öhrn
authors.forename: John R
authors.initials: JR
authors.lastname: Sabin