Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations
Phys. Chem. Chem. Phys., 4 (20):
5014-5019 (2002)DOI: 10.1039/B205417E
Abstract
We present a simulation of ultrafast pump-probe photoelectron spectroscopy based on a classical treatment of the nuclear motion. A comparison with quantum mechanical wave-packet results shows that in the case of the direct dissociation of H2O in its A 1B1 electronic state this method produces extremely accurate results. The energy distribution of the photoelectrons recorded as a function of the pump-probe delay reflects the dissociation process, which takes place within only a few femtoseconds.