TY - JOUR
T1 - Femtosecond Photodesorption of Small Molecules from Surfaces
T2 - A Theoretical Investigation from First Principles
AU - Koch, Christiane P.
AU - Klüner, Thorsten
AU - Freund, Hans Joachim
AU - Kosloff, Ronnie
PY - 2003
Y1 - 2003
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/84897884899
U2 - 10.1103/PhysRevLett.90.117601
DO - 10.1103/PhysRevLett.90.117601
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:84897884899
SN - 0031-9007
VL - 90
SP - 4
JO - Physical Review Letters
JF - Physical Review Letters
IS - 11
ER -