title: Light-driven unidirectional rotation in a molecule: ROKS simulation.
abstract: We present a first-principles molecular dynamics study of the excited-state motion in a molecule that has recently been proven to exhibit light-driven unidirectional rotation. The simulations show that the directed motion is due to the complex excited-state dynamics on ultrashort timescales in the chiral system.
authors.affiliation: Department Chemie und Biochemie and Center for Nanoscience (CeNS), Ludwig-Maximilians-Universität München, Butenandtstr. 11, 81377 München, Germany.
authors.forename: Stephan
authors.initials: S
authors.lastname: Grimm
authors.forename: Christoph
authors.initials: C
authors.lastname: Bräuchle
authors.forename: Irmgard
authors.initials: I
authors.lastname: Frank