title: Femtosecond photodesorption of small molecules from surfaces: a theoretical investigation from first principles.
abstract: A microscopic model for the excitation and relaxation processes in photochemistry at surfaces is developed. Our study is based on ab initio calculations and the surrogate Hamiltonian method treating surface electron-hole pairs as a bath of two-level systems. Desorption probabilities and velocities in the experimentally observed range are obtained. The excited state lifetime is calculated, and a dependence of observables on pulse length is predicted.
authors.affiliation: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany. koch_c@fhi-berlin.mpg.de
authors.forename: Christiane P
authors.initials: CP
authors.lastname: Koch
authors.forename: Thorsten
authors.initials: T
authors.lastname: Klüner
authors.forename: Hans-Joachim
authors.initials: HJ
authors.lastname: Freund
authors.forename: Ronnie
authors.initials: R
authors.lastname: Kosloff