Laser-Induced Electronic and Vibronic Dynamics in the Pyrene Molecule and its Cation
Katherine R. Herperger,
Jannis Krumland,
Caterina Cocchi
Abstract:Among polycyclic aromatic hydrocarbons, pyrene is widely used as an optical probe thanks to peculiar ultraviolet absorption and infrared emission features. Interestingly, this molecule is also an abundant component of the interstellar medium, where it is detected via its unique spectral fingerprints. In this work, we present a comprehensive first-principles study on the electronic and vibrational response of pyrene and its cation to ultrafast, coherent pulses in resonance with their optically active excitation… Show more
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