Marco Garavelli

How β -Ionone Ring Dynamics and Conformational Heterogeneity Control Carotenoid Photophysics

Abstract Carotenoid ultrafast photophysics has been studied for decades, but fully resolving their excited-state relaxation mechanisms remains a central, driving pursuit. Here, we investigate mini-β-carotene (m5) as a tractable model system, coupling high time-resolution transien...

Benchmarking Core-Level X-ray Absorption with MRSF-TDDFT, RASPT2, and Stochastic GAS Using the XABOOM Set

Abstract Rapid advances in X-ray free-electron laser facilities are producing X-ray absorption spectra (XAS) with unprecedented detail, creating a pressing need for theoretical methods that are both accurate and computationally efficient to interpret subtle spectral features. In...