ML-MCTDH

Assessing Nonadiabatic Dynamics Methods in Long Timescales

Assessing Nonadiabatic Dynamics Methods in Long Timescales

Nonadiabatic dynamics simulations complement time-resolved experiments by revealing ultrafast excited-state mechanistic information in photochemical reactions. Understanding the relaxation mechanisms of photoexcited molecules finds application in energy, material, and medicinal research…

Read More
On the multiphoton ionisation photoelectron spectra of phenol

On the multiphoton ionisation photoelectron spectra of phenol

The phenol molecule is a prototype for non-adiabatic dynamics and the excited-state photochemistry of biomolecules. In this article, we report a joint theoretical and experimental investigation on the resonance enhanced multiphoton ionisation photoelectron (REMPI) spectra of the two lowest ionisation bands of phenol…

Read More