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Spin-Orbit Interactions in Ultrafast Molecular Processes

Spin-Orbit Interactions in Ultrafast Molecular Processes

F. Talotta, D. Lauvergnat, F. Agostini et leurs collaboratrices de l’ISMO ont publié un article récemment dans Physical Review Letters
"Spin-Orbit Interactions in Ultrafast Molecular Processes"

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We investigate spin-orbit interactions in ultrafast molecular processes employing the exact factorization of the electron-nuclear wave function. We revisit the original derivation by including spin-orbit coupling, and show how the dynamics driven by the time-dependent potential energy surface alleviates inconsistencies arising from different electronic representations. We propose a novel trajectory-based scheme to simulate spin-forbidden non-radiative processes, and we show its performance in the treatment of excited-state dynamics where spin-orbit effects couple different spin multiplets.