4 papers
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…
A Fully Dynamical Description of Time-Resolved Resonant Inelastic X-ray Scattering of Pyrazine
Antonia Freibert, David Mendive-Tapia, Oriol Vendrell +1
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 photoin…
Quantum phenomena in attosecond science
Lidice Cruz-Rodriguez, Diptesh Dey, Antonia Freibert +1
Attosecond science has opened up new frontiers in our understanding of processes happening on the intrinsic timescale of electrons. The ability to manipulate and observe phenomena…
Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone
Olivia Bennett, Antonia Freibert, K. Eryn Spinlove +1
Quantum dynamics simulations are becoming a standard tool for simulating photo-excited molecular systems involving a manifold of coupled states, known as non-adiabatic dynamics. Wh…