3 citations · 3 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2024
The "Simple" Photochemistry of Thiophene
Michael A. Parkes, Graham A. Worth
The simple ultraviolet absorption spectrum of thiophene is investigated using a combination of a vibronic coupling model Hamiltonian with multi-configuration time-dependent Hartree…
physics.chem-ph2024
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…
physics.chem-ph2023★ 3 cited
Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene?
Sandra Gómez, Nadja Singer, Leticia González +1
In this work we set up a model Hamiltonian to study the excited state quantum dynamics of 1,1-difluoroethylene, a molecule that has equivalent atoms exchanged by a torsional symmet…