Femtosecond-scale photodissociation of benzene
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Semiclassical electron-radiation-ion dynamics (SERID) has been used to calculate the bond lengths, HOMO-LUMO energy gap and vibrational modes of benzene, and to examine the photodissociation of benzene molecules subjected to fast intense laser pulses. The calculated ground-state properties are in good agreement with experiment, confirming that density-functional-based SERID simulations provide a reliable treatment of bonding. We show results for representative simulations of the response of benzene to femtosecond-scale laser pulses, at various fluences corresponding to no dissociation, partial dissociation and complete dissociation into atomic constituents.
author list (cited authors)
Sauer, P., Rui-Hua Xie, J., Dou, Y., Torralva, B., & Allen, R. E.