Trends in angle-resolved molecular photoelectron spectroscopy

D Dowek, P Decleva - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The field of angle-resolved molecular photoelectron spectroscopy is reviewed, with
emphasis on foundations and most recent applications in different regimes of light–matter …

X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation

V Scutelnic, S Tsuru, M Pápai, Z Yang… - Nature …, 2021 - nature.com
Electronic relaxation in organic chromophores often proceeds via states not directly
accessible by photoexcitation. We report on the photoinduced dynamics of pyrazine that …

Artificial-Intelligence-Enhanced On-the-Fly Simulation of Nonlinear Time-Resolved Spectra

SV Pios, MF Gelin, A Ullah, PO Dral… - The Journal of Physical …, 2024 - ACS Publications
Time-resolved spectroscopy is an important tool for unraveling the minute details of
structural changes in molecules of biological and technological significance. The nonlinear …

On-the-Fly Simulation of Two-Dimensional Fluorescence–Excitation Spectra

SV Pios, MF Gelin, L Vasquez, J Hauer… - The Journal of Physical …, 2024 - ACS Publications
Two-dimensional (2D) fluorescence-excitation (2D-FLEX) spectroscopy is a recently
proposed nonlinear femtosecond technique for the detection of photoinduced dynamics. The …

Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

W Xie, M Sapunar, N Došlić, M Sala… - The Journal of chemical …, 2019 - pubs.aip.org
Trajectory surface hopping (TSH) methods have been widely used to study photoinduced
nonadiabatic processes. In the present study, nonadiabatic dynamics simulations with the …

Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Ab Initio Simulations Using the Quasiclassical …

T Kaczun, AL Dempwolff, X Huang… - The Journal of …, 2023 - ACS Publications
Transient absorption UV pump X-ray probe spectroscopy has been established as a
versatile technique for the exploration of ultrafast photoinduced dynamics in valence-excited …

Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study

K Sun, W Xie, L Chen, W Domcke… - The Journal of Chemical …, 2020 - pubs.aip.org
We studied spectroscopic signatures of the nonadiabatic dynamics at conical intersections
formed by the lowest excited singlet states in pyrazine. We considered two ab initio models …

Combined Surface-Hopping, Dyson orbital, and B-Spline approach for the computation of time-resolved photoelectron spectroscopy signals: The internal conversion …

T Piteša, M Sapunar, A Ponzi, MF Gelin… - Journal of chemical …, 2021 - ACS Publications
A computational protocol for simulating time-resolved photoelectron signals of medium-
sized molecules is presented. The procedure is based on a trajectory surface-hopping …

Improved insights in time-resolved photoelectron imaging

N Kotsina, D Townsend - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Time-resolved photoelectron imaging (TRPEI) is a highly differential technique for the
detailed study of non-adiabatic energy redistribution dynamics operating in the electronically …

Ab initio quasiclassical simulation of femtosecond time-resolved two-dimensional electronic spectra of pyrazine

X Huang, W Xie, N Došlić, MF Gelin… - The Journal of …, 2021 - ACS Publications
Two-dimensional (2D) electronic spectroscopy is a powerful nonlinear technique which
provides spectroscopic information on two frequency axes as well as dynamical information …