Light-induced non-adiabatic properties in molecular systems

Abstract

My dissertation discusses light-induced non-adiabatic molecular properties of the NaH and H2CO molecules using extensive numerical theoretical calculations. I investigate the light-induced dissociation of NaH, together with the fragment kinetic energy release spectra and angular distributions in the presence of light-induced conical intersections and light-induced avoided crossing formed by an electric field. In addition, the assignment of this research is to study the effect of this system’s PDM on dissociation processes. My second work investigates the topological aspects of cavity-induced degeneracies in H2CO. In this case, the Berry phase (or geometric phase) and the non-adiabatic coupling terms between two polaritonic states of this system in the vicinity of the light-induced conical intersection are studied.