Nonadiabatic and Time-Resolved Photoelectron Spectroscopy for Molecular Systems.

Interrogation of Nonadiabatic Molecular Dynamics via Time-Resolved Photoelectron Spectroscopy

Femtosecond energy- and angle-resolved photoelectron spectroscopy

Articles you may be interested in Comment on " Photoelectron angular distributions as a probe of alignment in a polyatomic molecule: Picosecond time-and angle-resolved photoelectron spectroscopy of S1 p-difluorobenzene " [J. Coherent polyatomic dynamics studied by femtosecond time-resolved photoelectron spectroscopy: Dissociation of vibrationally excited C S 2 in the 6 s and 4 d Rydberg states ...

Time-Resolved Photoelectron Spectroscopy of the Hydrated Electron: Comparing Cavity and Noncavity Models to Experiment.

We use nonadiabatic mixed quantum/classical molecular dynamics to simulate recent time-resolved photoelectron spectroscopy (TRPES) experiments on the hydrated electron, and compare the results for both a cavity and a noncavity simulation model to experiment. We find that cavity-model hydrated electrons show an "adiabatic" relaxation mechanism, with ground-state cooling that is fast on the time ...

Time-resolved photoelectron spectroscopy of wavepackets through a conical intersection in NO2.

We report the results of theoretical studies of the time-resolved femtosecond photoelectron spectroscopy of quantum wavepackets through the conical intersection between the first two (2)A' states of NO(2). The Hamiltonian explicitly includes the pump-pulse interaction, the nonadiabatic coupling due to the conical intersection between the neutral states, and the probe interaction between the neu...

Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine.

The reaction dynamics of excited electronic states in nucleic acid bases is a key process in DNA photodamage. Recent ultrafast spectroscopy experiments have shown multicomponent decays of excited uracil and thymine, tentatively assigned to nonadiabatic transitions involving multiple electronic states. Using both quantum chemistry and first principles quantum molecular dynamics methods we show t...