most citedDensity functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C60

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physics.atm-clus2021★ 2 cited

Density functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C60

Ruma De, Esam Ali, Steven T. Manson +1

Inter-Coulombic decay (ICD) resonances in the photoionization of Cl@C60 endofullerene molecule are calculated using a perturbative density functional theory (DFT) method. This is t…

physics.atm-clus2020

Ultrafast transfer and transient entrapment of photoexcited Mg electron in Mg@C60

Mohamed El-Amine Madjet, Esam Ali, Marcelo Carignano +2

Electron relaxation is studied in endofullerene Mg@C60, after an initial localized photoexcitation in Mg, by nonadiabtic molecular dynamics simulations. To ensure reliability, two…