2 papers
physics.chem-ph2024
Simulating Ultrafast Transient Absorption Spectra from First Principles using a Time-Dependent Configuration Interaction Probe
Arshad Mehmood, Myles C. Silfies, Andrew S. Durden +2
Transient absorption spectroscopy (TAS) is among the most common ultrafast photochemical experiments, but its interpretation remains challenging. In this work, we present an effici…
physics.chem-ph2024
Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone
JiÅÃ Suchan, Fangchun Liang, Andrew S. Durden +1
Computer simulation has long been an essential partner of ultrafast experiments, allowing the assignment of microscopic mechanistic detail to low-dimensional spectroscopic data. Ho…