Nonlinear molecular electronic spectroscopy via mctdh quantum dynamics: From exact to approximate expressions
We present an accurate and efficient approach to computing the linear and nonlinear optical
spectroscopy of a closed quantum system subject to impulsive interactions with an incident …
spectroscopy of a closed quantum system subject to impulsive interactions with an incident …
Time-Dependent Resonant Inelastic X-ray Scattering of Pyrazine at the Nitrogen K-Edge: A Quantum Dynamics Approach
We calculate resonant inelastic X-ray scattering spectra of pyrazine at the nitrogen K-edge in
the time domain including wavepacket dynamics in both the valence and core-excited state …
the time domain including wavepacket dynamics in both the valence and core-excited state …
Rebuilding the vibrational wavepacket in TRAS using attosecond X-ray pulses
C Wang, M Gong, X Zhao, QW Nan, XY Yu… - Communications …, 2024 - nature.com
Time-resolved X-ray photoelectron spectroscopy (TXPS) is a well-established technique to
probe coherent nuclear wavepacket dynamics using both table-top and free-electron-based …
probe coherent nuclear wavepacket dynamics using both table-top and free-electron-based …
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
A dynamical rearrangement in the electronic structure of a molecule can be driven by
different phenomena, including nuclear motion, electronic coherence or electron correlation …
different phenomena, including nuclear motion, electronic coherence or electron correlation …
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol
Expressions for linear and nonlinear spectroscopy simulation in the X-ray window in which
the time evolution of a photoexcited molecular system is treated via quantum dynamics are …
the time evolution of a photoexcited molecular system is treated via quantum dynamics are …
Tracking the Electron Density Changes in Excited States: A Computational Study of Pyrazine
SV Pios, J Zhang, MF Gelin, HG Duan… - The Journal of Physical …, 2024 - ACS Publications
The development of X-ray free-electron lasers has enabled ultrafast X-ray diffraction (XRD)
experiments, which are capable of resolving electronic and vibrational transitions and …
experiments, which are capable of resolving electronic and vibrational transitions and …
A Fully Dynamical Description of Time-Resolved Resonant Inelastic X-ray Scattering of Pyrazine
A Freibert, D Mendive-Tapia, O Vendrell… - arXiv preprint arXiv …, 2024 - arxiv.org
Recent advancements in ultrashort and intense X-ray sources have enabled the utilisation of
resonant inelastic X-ray scattering (RIXS) as a probing technique for monitoring …
resonant inelastic X-ray scattering (RIXS) as a probing technique for monitoring …