Ultrafast dynamics of correlation bands following XUV molecular photoionization

M Hervé, V Despré, P Castellanos Nash, V Loriot… - Nature Physics, 2021 - nature.com
Modern ultrashort X-ray/XUV (extreme ultraviolet) sources provide unique opportunities to
investigate the primary reactions of matter upon energetic excitation. Understanding these …

Extreme-ultraviolet spectral compression by four-wave mixing

L Drescher, O Kornilov, T Witting, V Shokeen… - Nature …, 2021 - nature.com
Extreme-ultraviolet (XUV) sources including high-harmonic generation (HHG), free-electron
lasers (FELs), soft-X-ray lasers and laser-driven plasmas are widely used for applications …

Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes

E Posenitskiy, M Rapacioli, B Lepetit… - Physical Chemistry …, 2019 - pubs.rsc.org
The Tully's fewest switches surface hop** algorithm is implemented within the framework
of the time-dependent density functional based tight binding method (TD-DFTB) to simulate …

Angularly resolved RABBITT using a second harmonic pulse

V Loriot, A Marciniak, G Karras, B Schindler… - Journal of …, 2017 - iopscience.iop.org
Processes in atoms or molecules on the attosecond timescale have been measured using
XUV attosecond and IR femtosecond pulses overlap** in time and controlled with …

Theoretical investigation of the electronic relaxation in highly excited chrysene and tetracene: The effect of armchair vs zigzag edge

E Posenitskiy, M Rapacioli, D Lemoine… - The Journal of …, 2020 - pubs.aip.org
Non-adiabatic molecular dynamics of neutral chrysene and tetracene molecules is
investigated using Tully's fewest switches surface hop** algorithm coupled to the time …

Size effects in charge migration in alkyne chains

V Despré, AI Kuleff - Theoretical Chemistry Accounts, 2019 - Springer
The charge migration dynamics initiated by an outer-valence ionization of alkyne chains
containing between 4 and 12 carbon atoms is studied using ab initio methods only. It is …

[HTML][HTML] Ultrafast photodissociation dynamics and nonadiabatic coupling between excited electronic states of methanol probed by time-resolved photoelectron …

EG Champenois, L Greenman, N Shivaram… - The Journal of …, 2019 - pubs.aip.org
The electronic and nuclear dynamics in methanol, following 156 nm photoexcitation, are
investigated by combining a detailed analysis of time-resolved photoelectron spectroscopy …

Ultrafast ring-opening fragmentation dynamics of induced by electron-impact ionization

J Zhou, Y Li, Y Wang, S Jia, X Xue, T Yang, Z Zhang… - Physical Review A, 2021 - APS
The fragmentation dynamics of triply charged benzene [(C 6 H 6) 3+] induced by 260 eV
electron-impact ionization are investigated using a multiparticle coincidence momentum …

Challenges in XUV photochemistry simulations: A case study on ultrafast fragmentation dynamics of the benzene radical cation

S Bazzi, R Welsch, O Vendrell… - The Journal of Physical …, 2018 - ACS Publications
The challenges of simulating extreme ultraviolet (XUV)-induced dissociation dynamics of
organic molecules on a multitude of coupled potential energy surfaces are discussed for the …

Comparison of ultrafast intense-field photodynamics in aniline and nitrobenzene: stability under amino and nitro substitution

TD Scarborough, CJ McAcy, J Beck… - Physical Chemistry …, 2019 - pubs.rsc.org
We report on the photoionization and photofragmentation of aniline (C6H5NH2) and
nitrobenzene (C6H5NO2) under single-molecule conditions in the focus of 50 fs, 800 nm …