Photoionization of open-shell halogen atoms endohedrally confined in C60

Dakota Shields, Ruma De, Mohamed Madjet, Steven T. Manson, Himadri Chakraborty

Research output: Contribution to journalConference article

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Abstract

Synopsis Dipole photoionization of atomically open-shell halogen-endofullerenes Cl,Br,I@C60 are calculated using time-dependent local density functional theory and a spherical potential model. Hybridization of the valence np orbital of the atom with a C60 p orbital is found to strongly modify the ionization parameters.

Original languageEnglish
Article number042004
JournalJournal of Physics: Conference Series
Volume875
Issue number5
DOIs
Publication statusPublished - 18 Aug 2017

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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