Time-resolved photoelectron spectroscopy molecular dynamics

Hudock et al. [126] used the ab initio molecular dynamics multiple spawning method to go beyond the static picture based on PES and include the time dependent dynamical behavior and predict time-resolved photoelectron spectroscopy results. According to these results the first ultrafast component of the photoelectron spectra of uracil corresponds to relaxation on the S2 minimum rather than nonadiabatic transitions to the Si state. The authors suggest that the radiationless relaxation from... 

Hudock HR, Levine BG, Thompson AL, Satzger H, Townsend D, Gador N, Ullrich S, Stolow A, Martinez TJ (2007) Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. J Phys Chem A 111 8500-8508... 

Electron dynamics of photoionization states in the course of nonadiabatic transition is one of the important molecular processes. It can be applied to the studies on the following dynamical processes Tracking the history of electronic and vibrational states wandering among the excited states in laser fields with designed optical pulses. These time-dependent transient states should be able to be monitored in terms of time-resolved photoelectron spectroscopy [14, 353]. Inner shell ionization from a deep core level and the concomitant electronic state avalanches (decay) towards the hole, which may be accompanied by autoionization, is also quite interesting. In a... 

Blanchet V, Zgierski MZ, Seidemtin T, Stolow A (1999) Discerning vibronic molecular dynamics using time-resolved photoelectron spectroscopy. Science 401 52... 

In this chapter we describe advances in the femtosecond time-resolved multiphoton photoemission spectroscopy (TR-MPP) as a method for probing electronic structure and ultrafast interfacial charge transfer dynamics of adsorbate-covered solid surfaces. The focus is on surface science-based approaches that combine ultrafast optical pump probe excitation to induce nonlinear multi-photon photoemission (MPP) from clean or adsorbate covered single crystal surfaces. The photoemitted electrons transmit spectroscopic and dynamical information, which is captured by their energy analysis in real or reciprocal space. We examine how photoelectron spectroscopy and microscopy yield information on the unoccupied molecular structure, electron transfer and relaxation processes, light induced chemical and physical transformations and the evolution of coherent single particle and collective excitations at solid surfaces. 

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