499 citations · 1.4k across the 25 of their papers we have counts for
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Excited-state normal-modes analysis: the case of porphyrins
Pavel Rukin, Deborah Prezzi, Carlo Andrea Rozzi
Excited state normal modes analysis is systematically applied to investigate and compare relaxation and internal conversion dynamics of a free-base porphyrin with a novel functiona…
Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model
Gabriel Gil, Silvio Pipolo, Alain Delgado +2
We develop an extension of the time-dependent equation-of-motion formulation of the polarizable continuum model (EOM-TDPCM) to introduce nonequilibrium cavity field effects in quan…
Nonlinear Light Absorption in Many-Electron Systems Excited by an Instantaneous Electric Field: A Non-Perturbative Approach
Alberto Guandalini, Caterina Cocchi, Stefano Pittalis +2
We study light absorption in many-electron interacting systems beyond the linear regime by using a {\em single} broadband impulse of an electric field in the instantaneous limit. W…
Ultrafast dynamics of photoinduced charge separation
Carlo Andrea Rozzi, Filippo Troiani, Ivano Tavernelli
Phenomena involving electron transfer are ubiquitous in nature, photosynthesis and enzymes or protein activity being prominent examples. Their deep understanding thus represents a…